SCHEMBL1706340

SCHEMBL1706340

COc1c(B2OC(C)(C)C(C)(C)O2)cccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.41
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 4/20 0.36
RAB9A P51151 3/20 0.36
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 3/20 0.36
MAPT P10636 3/20 0.36
PKM P14618 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
GPR35 Q9HC97 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 2/20 0.34
RECQL P46063 2/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 2/20 0.34
HSPB1 P04792 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP3 P42574 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29744902 1.00 TDP1 (0.41) TDP1ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL14679422 0.82 TDP1 (0.36) TDP1ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL31130611 0.82 HSD17B10 (0.44) TDP1ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL7690779 0.82 HSD17B10 (0.44) TDP1ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL103771 0.81 TDP1 (0.55) TDP1ALDH1A1L3MBTL1NPC1KMT2A
SCHEMBL30746464 0.81 TDP1 (0.55) TDP1ALDH1A1L3MBTL1NPC1KMT2A
SCHEMBL30129134 0.79 TDP1 (0.55) TDP1ALDH1A1L3MBTL1NPC1KMT2A
SCHEMBL20681552 0.79 TDP1 (0.55) TDP1ALDH1A1L3MBTL1NPC1KMT2A
SCHEMBL29766546 0.79 TDP1 (0.41) TDP1ALDH1A1L3MBTL1KMT2ASMN1; SMN2
SCHEMBL8222838 0.79 TDP1 (0.41) TDP1ALDH1A1L3MBTL1KMT2ASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024107658-A2 INHIBITORS OF TYK2 VYRNWY THERAPEUTICS, INC. (US) 2024-05-23 WO disclosed
US-20240101548-A1 HYDROXAMATE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHENZHEN CHIPSCREEN BIOSCIENCES CO., LTD (CN) 2024-03-28 US disclosed
EP-4257587-A1 HYDROXAMATE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shenzhen Chipscreen Biosciences Co., Ltd. (CN) 2023-10-11 EP disclosed
US-11634430-B2 Heterocyclic compound and organic light emitting element comprising same LG CHEM, LTD. (KR) 2023-04-25 US disclosed
CN-110114362-B Heterocyclic compound and organic light-emitting element comprising same 株式会社LG化学 2022-07-05 CN disclosed
US-20180155349-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-07 US disclosed
US-9120762-B2 Salts of bicyclo-substituted pyrazolon azo derivatives, preparation method and use thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2015-09-01 US disclosed
US-9120762-B2 Salts of bicyclo-substituted pyrazolon azo derivatives, preparation method and use thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2015-09-01 US disclosed
US-9120762-B2 Salts of bicyclo-substituted pyrazolon azo derivatives, preparation method and use thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2015-09-01 US disclosed
EP-2236500-B1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO (CN) 2014-12-24 EP disclosed
US-20120164102-A1 SALTS OF BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION METHOD AND USE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2012-06-28 US disclosed
US-20120164102-A1 SALTS OF BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION METHOD AND USE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2012-06-28 US disclosed
EP-2441457-A1 SALTS OF BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION METHOD AND USE THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2012-04-18 EP disclosed
EP-2441457-A1 SALTS OF BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION METHOD AND USE THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2012-04-18 EP disclosed
US-20100316601-A1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO. LTD. (CN) 2010-12-16 US disclosed
US-20100316601-A1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO. LTD. (CN) 2010-12-16 US disclosed
US-20100316601-A1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO. LTD. (CN) 2010-12-16 US disclosed
EP-2236500-A1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2010-10-06 EP disclosed
EP-2236500-A1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2010-10-06 EP disclosed
US-20100035871-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF WYETH 2010-02-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240101548-A1 HYDROXAMATE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF TYK2, WEE2, WEE1 TDP1 1205/4885ALDH1A1 3779/4885L3MBTL1 4252/4885
US-20100316601-A1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF THPO, MPL, TEK TDP1 3757/4885ALDH1A1 1911/4885L3MBTL1 4883/4885
US-20100035871-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF HTR2C, HTR5A, NPY1R TDP1 2282/4885ALDH1A1 1164/4885L3MBTL1 4212/4885
US-20180155349-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TDP1 330/4885ALDH1A1 4827/4885L3MBTL1 914/4885
US-11634430-B2 Heterocyclic compound and organic light emitting element comprising same CRY1, TRPA1, LEF1 TDP1 2226/4885ALDH1A1 47/4885L3MBTL1 1282/4885
US-20120164102-A1 SALTS OF BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION METHOD AND USE THEREOF THPO, MPL, TEK TDP1 3874/4885ALDH1A1 2072/4885L3MBTL1 4883/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.