SCHEMBL3680582

SCHEMBL3680582

O=c1[nH]c(N[N+](=O)[O-])nc2c1CCCC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.52
▸ LMNA P02545 1/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ HPGD P15428 3/20 0.50
▸ PKM P14618 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ TP53 P04637 1/20 0.45
▸ OPRK1 P41145 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ ALPL P05186 1/20 0.41
▸ ALPI P09923 1/20 0.41
▸ ALPG P10696 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TNKS O95271 1/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ WNT3A P56704 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
SCHEMBL18689591 0.73 PKM (0.55) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL18712054 0.71 MAPT (0.54) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL31087188 0.71 HPGD (0.59) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL3122203 0.71 PARP1 (0.59) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL9878904 0.70 MAPT (0.75) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL31087172 0.69 HPGD (0.56) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL31087187 0.69 MAPT (0.56) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL3425926 0.67 HPGD (0.53) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL10150407 0.67 PARP1 (0.59) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL10568181 0.67 HPGD (0.53) MAPTLMNASMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1724267-B1 PYRIMIDINE DERIVATIVE ASKA PHARM CO LTD (JP) 2013-11-06 — — EP disclosed
US-7799775-B2 such as 3-amino-5,6-dimethyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylthio]-3H-thieno[2,3-d]pyrimidin-4-one, having serotonin receptor modulatory activity, used for treating irritable bowel syndrome ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-09-21 — — US disclosed
US-20070197551-A1 Pyrimidine derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-23 — — US disclosed
EP-1724267-A1 PYRIMIDINE DERIVATIVE ASKA Pharmaceutical Co., Ltd. (JP) 2006-11-22 — — EP 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 (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-20070197551-A1 Pyrimidine derivatives HTR3B, HTR3A, HTR1A MAPT 4663/4885LMNA 3615/4885SMN1; SMN2 1018/4885

“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.

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