SCHEMBL8374

SCHEMBL8374

Cc1[c]cccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.54
HSD17B10 Q99714 1/20 0.52
TSHR P16473 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GPR35 Q9HC97 2/20 0.43
ALDH1A1 P00352 5/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
CYP3A4 P08684 1/20 0.41
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL7828554 0.83 TDP1 (0.50) TDP1HSD17B10TSHRSMN1; SMN2MEN1
SCHEMBL2766321 0.79 TDP1 (0.34) TDP1HSD17B10TSHRSMN1; SMN2
SCHEMBL456245 0.79 TDP1 (0.44) TDP1HSD17B10TSHRSMN1; SMN2MEN1
SCHEMBL33832 0.77 TDP1 (0.46) TDP1HSD17B10TSHRSMN1; SMN2MEN1
SCHEMBL7136437 0.77 TDP1 (0.46) TDP1HSD17B10TSHRSMN1; SMN2MEN1
SCHEMBL41322 0.75 GPR35 (0.54) TDP1HSD17B10TSHRSMN1; SMN2MEN1
SCHEMBL1173852 0.75 TDP1 (0.54) TDP1HSD17B10TSHRSMN1; SMN2MEN1
SCHEMBL1036583 0.75 TDP1 (0.45) TDP1HSD17B10TSHRSMN1; SMN2MEN1
SCHEMBL2075134 0.75 TDP1 (0.45) TDP1HSD17B10TSHRSMN1; SMN2MEN1
SCHEMBL7907932 0.75 TDP1 (0.45) TDP1HSD17B10TSHRSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116496296-A Dolutegravir derivative with anti-tumor function and preparation method thereof 河南师范大学 2023-07-28 CN claimed
CN-115746022-A Preparation method and application of caspovir derivative 河南科技大学 2023-03-07 CN claimed
CN-111848548-A 5-substituted-1, 3, 4-thiadiazole Schiff base derivative and preparation method and application thereof 天津科技大学 2020-10-30 CN claimed
CN-105622483-B A kind of synthetic method of 4- nitroindoline 苏州艾缇克药物化学有限公司 2019-04-26 CN claimed
CN-109053534-A A kind of preparation method of medicine intermediate 4- nitroindoline 苏州盖德精细材料有限公司 2018-12-21 CN claimed
EP-3380457-A1 MONOSULFONIC PHENYLTETRAZOLE COMPOUNDS WITH APPLICATIONS Hangzhou Jennifer Biotech Co., Ltd. (CN) 2018-10-03 EP claimed
US-20180244637-A1 MONOSULFONIC PHENYLTETRAZOLE COMPOUNDS WITH APPLICATIONS HANGZHOU JENNIFER BIOTECH CO., LTD. (CN) 2018-08-30 US claimed
WO-2017080443-A1 MONOSULFONIC PHENYLTETRAZOLE COMPOUNDS WITH APPLICATIONS HANGZHOU JENNIFER BIOTECH CO., LTD. (CN) 2017-05-18 WO claimed
CN-105622483-A Synthesis method of 4-nitroindole ITIC MEDCHEM CO LTD 2016-06-01 CN claimed
CN-103396349-B Acyl thiourea compound containing 1-methyl cyclohexyl as well as preparation method and application thereof UNIV ZHEJIANG TECHNOLOGY 2014-12-17 CN claimed
EP-0025190-B1 CHROMOGENIC COMPOUNDS AND THEIR USE AS ENZYMATIC SUBSTRATES BEHRINGWERKE Aktiengesellschaft (DE) 1984-06-13 EP claimed
US-4244865-A α hydroxy tripeptide substrates ABBOTT LABORATORIES (US) 1981-01-13 US claimed
US-4219497-A Chromogenic substrates ABBOTT LABORATORIES (US) 1980-08-26 US claimed
US-4217269-A FOR SPECTROPHOTOMETRIC MEASUREMENT OF PROTEOLYTIC ENZYMES ABBOTT LABORATORIES (US) 1980-08-12 US claimed
US-4072576-A Method for studying enzymatic and other biochemical reactions AB KABI (SW) 1978-02-07 US claimed
US-4060623-A 1,2,4-Triazole antimycotic compositions and use thereof BAYER AKTIENGESELLSCHAFT (DT) 1977-11-29 US claimed
US-4038404-A 1,2,4-TRIAZOLE ANTIMYCOTIC COMPOSITIONS AND USE THEREOF BAYER AKTIENGESELLSCHAFT (DT) 1977-07-26 US claimed
US-4036966-A 1,2,4-Triazole antimycotic compositions and use thereof BAYER AKTIENGESELLSCHAFT (DT) 1977-07-19 US claimed
US-4036967-A 1,2,4-Triazole antimycotic compositions and use thereof BAYER AKTIENGESELLSCHAFT (DT) 1977-07-19 US claimed
US-4010162-A Substituted phenanthroline pigments ALLIED CHEMICAL CORPORATION (US) 1977-03-01 US claimed

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

For each of this compound's patents that has machine-readable text (1 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-20180244637-A1 MONOSULFONIC PHENYLTETRAZOLE COMPOUNDS WITH APPLICATIONS TST, MPST, SQOR TDP1 1942/4885HSD17B10 849/4885TSHR 3137/4885

“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.