SCHEMBL1844829

SCHEMBL1844829

COC(=O)c1cc([N+](=O)[O-])cs1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTT P42858 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GALR3 O60755 1/20 0.40
SLC6A3 Q01959 1/20 0.39
CTPS1 P17812 1/20 0.39
SLC6A4 P31645 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL14269795 0.83 MIF (0.40) MIFPOLBMEN1KMT2AALDH1A1
SCHEMBL2992084 0.82 NPC1 (0.51) POLBMEN1KMT2AALDH1A1LMNA
SCHEMBL1847472 0.82 DAO (0.48) MIFPOLBMEN1KMT2AALDH1A1
SCHEMBL6368901 0.82 SLC6A3 (0.49) POLBMEN1KMT2ALMNASMN1; SMN2
SCHEMBL2789975 0.80 MAPT (0.48) MIFMEN1KMT2AALDH1A1LMNA
Hydrochloric Acid SCHEMBL8634171 0.80 DAO (0.47) MIFPOLBMEN1KMT2AALDH1A1
SCHEMBL24210872 0.77 MEN1 (0.38) POLBMEN1KMT2AALDH1A1LMNA
SCHEMBL28263654 0.77 SMN1; SMN2 (0.50) MIFMEN1KMT2AALDH1A1LMNA
SCHEMBL8634167 0.77 MIF (0.46) MIFMEN1KMT2AALDH1A1LMNA
SCHEMBL11213610 0.76 KMT2A (0.49) MIFPOLBMEN1KMT2AALDH1A1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119371425-A Nitrogen-containing heterocyclic compound, preparation method and medical application thereof 中国医药研究开发中心有限公司 2025-01-28 CN disclosed
CN-119330982-A Azetidine compound and medical application thereof 中国科学院上海药物研究所 2025-01-21 CN disclosed
CN-105283443-A Heterocyclic derivatives and use thereof C & C RES LAB 2016-01-27 CN disclosed
EP-2324006-B1 Anti-cancer drugs and uses relating thereto for metastatic malignant melanoma and other cancers KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LTD (IN) 2014-08-13 EP disclosed
US-8258119-B2 Anti-cancer drugs and uses relating thereto for metastatic malignant melanoma and other cancers Kasina Laila Innova Pharmaceuticals (IN) 2012-09-04 US disclosed
US-20110201603-A1 Novel Acylaminobenzamide Derivatives BAYER CROPSCIENCE AG (DE) 2011-08-18 US disclosed
EP-2324006-A2 ANTI-CANCER DRUGS AND USES RELATING THERETO FOR METASTATIC MALIGNANT MELANOMA AND OTHER CANCERS Kasina Laila Innova Pharmaceuticals Private Ltd. (IN) 2011-05-25 EP disclosed
WO-2010029577-A2 ANTI-CANCER DRUGS AND USES RELATING THERETO FOR METASTATIC MALIGNANT MELANOMA AND OTHER CANCERS GOKARAJU GANGA RAJU (IN) 2010-03-18 WO disclosed
US-20100068178-A1 ANTI-CANCER DRUGS AND USES RELATING THERETO FOR METASTATIC MALIGNANT MELANOMA AND OTHER CANCERS LAILA NUTRACEUTICALS (IN) 2010-03-18 US disclosed
CN-1849323-A Thienopyrroles as antiviral agents ANGELETTI P IST RICHERCHE BIO (IT) 2006-10-18 CN disclosed
US-5310752-A Distamycin A analogs; antitumor agents, viricides FARMITALIA CARLO ERBA SPA (IT) 1994-05-10 US disclosed
EP-0246868-B1 SITE SPECIFIC ALKYLATING AGENTS FARMITALIA CARLO ERBA S.r.l. (IT) 1992-09-16 EP disclosed
US-5049579-A Antitumor, viricides FARMITALIA CARLO ERBA, S.R.L. (IT) 1991-09-17 US disclosed
US-5017599-A Antitumor, antiviral distamycin A analog FARMITALIA CARLO ERBA, SPA (IT) 1991-05-21 US disclosed
EP-0246868-A1 Site specific alkylating agents FARMITALIA CARLO ERBA S.r.l. (IT) 1987-11-25 EP disclosed
US-4219482-A Process for preparing thiophene and furan derivatives LABAZ (FR) 1980-08-26 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 (2 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-20110201603-A1 Novel Acylaminobenzamide Derivatives KCNB1, KCNA5, KCNA7 MIF 4865/4885POLB 1730/4885MEN1 3469/4885
US-20100068178-A1 ANTI-CANCER DRUGS AND USES RELATING THERETO FOR METASTATIC MALIGNANT MELANOMA AND OTHER CANCERS BRAF, NRAS, TP53 MIF 80/4885POLB 1250/4885MEN1 65/4885

“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.