SCHEMBL7082686

SCHEMBL7082686

O=C(NCc1cccnc1)c1cccnc1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.73
NPC1 O15118 2/20 0.72
HTT P42858 3/20 0.69
ALDH1A1 P00352 2/20 0.69
LMNA P02545 2/20 0.69
MAPT P10636 1/20 0.69
THRB P10828 1/20 0.68
GAA P10253 1/20 0.68
CA2 P00918 1/20 0.66
MEN1 O00255 1/20 0.66
RAB9A P51151 1/20 0.66
KMT2A Q03164 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
RECQL P46063 1/20 0.66
MAPK1 P28482 1/20 0.64
NAMPT P43490 1/20 0.64
USP2 O75604 1/20 0.64
MMP13 P45452 1/20 0.64

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
SCHEMBL354041 0.92 TSHR (0.76) TSHRNPC1THRBGAAMEN1
SCHEMBL1161997 0.92 NAMPT (0.75) HTTALDH1A1LMNAMAPTGAA
Iodide SCHEMBL15903217 0.90 TSHR (0.74) TSHRNPC1THRBGAAMEN1
Hydrochloric Acid SCHEMBL11508166 0.89 TSHR (0.72) TSHRNPC1THRBGAAMEN1
SCHEMBL19028142 0.89 TSHR (0.76) TSHRNPC1HTTLMNATHRB
SCHEMBL1568226 0.89 ALDH1A1 (0.72) TSHRHTTALDH1A1LMNAMAPT
SCHEMBL6569317 0.86 LMNA (0.72) TSHRHTTALDH1A1LMNAMAPT
SCHEMBL5257811 0.86 LMNA (0.72) TSHRHTTALDH1A1LMNAMAPT
SCHEMBL3918322 0.86 TSHR (0.76) TSHRNPC1HTTALDH1A1LMNA
SCHEMBL7531532 0.85 HTT (0.64) TSHRHTTALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4055008-A1 CANCER TREATMENTS TARGETING CANCER STEM CELLS Remedy Plan, Inc. (US) 2022-09-14 EP disclosed
CN-114929672-A Cancer therapy targeting cancer stem cells 治疗方案股份有限公司 2022-08-19 CN disclosed
CN-108440515-B Substituted benzofuranyl and benzoxazolyl compounds and uses thereof 卡尔约药物治疗公司 2022-05-03 CN disclosed
US-20030031715-A1 Pharmaceutical applications of hydrotropic agents, polymers thereof, and hydrogels thereof PURDUE RESEARCH FOUNDATION 2003-02-13 US disclosed
WO-2002030466-A2 PHARMACEUTICAL APPLICATIONS OF HYDROTROPIC AGENTS, POLYMERS THEREOF, AND HYDROGELS THEREOF PURDUE RESEARCH FOUNDATION (US) 2002-04-18 WO 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-20030031715-A1 Pharmaceutical applications of hydrotropic agents, polymers thereof, and hydrogels thereof HMGB2, HTT, ABCG2 TSHR 3523/4885NPC1 2518/4885HTT 2/4885

“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.