SCHEMBL354041

SCHEMBL354041

O=C(NCc1ccccc1)c1cccnc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.76
NPC1 O15118 2/20 0.73
SMN1; SMN2 Q16637 2/20 0.73
MEN1 O00255 1/20 0.73
RAB9A P51151 1/20 0.73
KMT2A Q03164 1/20 0.73
GAA P10253 1/20 0.72
EPHX2 P34913 2/20 0.69
NAMPT P43490 2/20 0.68
THRB P10828 1/20 0.66
HDAC3 O15379 1/20 0.64
HDAC4 P56524 1/20 0.64
HDAC1 Q13547 1/20 0.64
HDAC7 Q8WUI4 1/20 0.64
HDAC2 Q92769 1/20 0.64
HDAC10 Q969S8 1/20 0.64
HDAC11 Q96DB2 1/20 0.64
HDAC8 Q9BY41 1/20 0.64
HDAC6 Q9UBN7 1/20 0.64
HDAC9 Q9UKV0 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
Iodide SCHEMBL15903217 0.98 TSHR (0.74) TSHRNPC1SMN1; SMN2MEN1RAB9A
Hydrochloric Acid SCHEMBL11508166 0.97 TSHR (0.72) TSHRNPC1SMN1; SMN2MEN1RAB9A
SCHEMBL7082686 0.92 TSHR (0.73) TSHRNPC1SMN1; SMN2MEN1RAB9A
SCHEMBL19028142 0.90 TSHR (0.76) TSHRNPC1SMN1; SMN2MEN1RAB9A
SCHEMBL1161997 0.90 NAMPT (0.75) KMT2AGAANAMPTUSP2MAPK1
SCHEMBL11550165 0.88 TP53 (0.72) TSHRNPC1SMN1; SMN2MEN1RAB9A
SCHEMBL3918322 0.88 TSHR (0.76) TSHRNPC1SMN1; SMN2MEN1RAB9A
SCHEMBL1680794 0.87 RAB9A (0.72) TSHRNPC1SMN1; SMN2MEN1RAB9A
SCHEMBL9309245 0.87 NPC1 (0.72) TSHRNPC1SMN1; SMN2MEN1RAB9A
SCHEMBL8372128 0.86 TSHR (0.74) TSHRNPC1SMN1; SMN2MEN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117304100-B Method for synthesizing nicotinamide by 3-methylpyridine JIUJIANG SHANSHUI TECHNOLOGY Co.,Ltd. (CN) 2026-05-26 CN claimed
CN-122094660-A Composition in the form of an oil-in-water emulsion 2026-05-26 CN claimed
EP-4687829-A1 COMPOSITION FOR CARING FOR KERATIN MATERIALS L'OREAL (FR) 2026-02-11 EP claimed
US-20250381116-A1 SOLUBILIZATION OF THIOPYRIDINONE COMPOUND AND COMPOSITION COMPRISING SAME OREAL (FR) 2025-12-18 US claimed
US-20250161201-A1 COSMETIC COMPOSITION THE BOOTS COMPANY PLC (GB) 2025-05-22 US claimed
WO-2025091220-A2 COMPOSITION IN THE FORM OF OIL-IN-WATER EMULSION L'OREAL (FR) 2025-05-08 WO claimed
WO-2025091239-A1 COMPOSITION IN THE FORM OF OIL-IN-WATER EMULSION L'OREAL (FR) 2025-05-08 WO claimed
EP-4543408-A1 SOLUBILIZATION OF THIOPYRIDINONE COMPOUND AND COMPOSITION COMPRISING SAME L'OREAL (FR) 2025-04-30 EP claimed
CN-119654151-A Composition for caring skin 莱雅公司 2025-03-18 CN claimed
CN-119630382-A Solubilization of thiopyridone compounds and compositions containing same 莱雅公司 2025-03-14 CN claimed
US-8012956-B2 Tropane compounds EXELIXIS, INC. (US) 2011-09-06 US claimed
EP-2074120-A1 TROPANE COMPOUNDS Exelixis, Inc. (US) 2009-07-01 EP claimed
US-20090163471-A1 Tropane compounds EXELIXIS, INC. 2009-06-25 US claimed
WO-2009055077-A1 TROPANE COMPOUNDS EXELIXIS, INC. (US) 2009-04-30 WO claimed
EP-1937682-A1 MET KINASE INHIBITORS Brystol-Myers Squibb Company (US) 2008-07-02 EP claimed
WO-2007041379-A1 MET KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-12 WO claimed
EP-1367985-A2 ANHYDROUS ANTIPERSPIRANT AND DEODORANT COMPOSITIONS CONTAINING A SOLID, WATER-SOLUBLE, SKIN ACTIVE AGENT THE PROCTER & GAMBLE COMPANY (US) 2003-12-10 EP claimed
EP-0896522-B1 METHODS OF REGULATING SKIN APPEARANCE WITH VITAMIN B 3 COMPOUND PROCTER & GAMBLE (US) 2003-10-22 EP claimed
WO-2002069916-A2 ANHYDROUS ANTIPERSPIRANT AND DEODORANT COMPOSITIONS CONTAINING A SOLID, WATER-SOLUBLE, SKIN ACTIVE AGENT THE PROCTER & GAMBLE COMPANY (US) 2002-09-12 WO claimed
US-6383476-B1 Anhydrous antiperspirant and deodorant compositions containing a solid, water-soluble, skin active agent THE PROCTER & GAMBLE COMPANY 2002-05-07 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 (3 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-20250161201-A1 COSMETIC COMPOSITION CYP19A1, SHBG, HSD17B11 TSHR 2623/4885NPC1 2375/4885SMN1; SMN2 4266/4885
US-20090163471-A1 Tropane compounds ADRA1B, ADRA2B, ADRB2 TSHR 172/4885NPC1 1371/4885SMN1; SMN2 411/4885
US-20250381116-A1 SOLUBILIZATION OF THIOPYRIDINONE COMPOUND AND COMPOSITION COMPRISING SAME TBCB, CCNB3, CYP24A1 TSHR 2123/4885NPC1 2754/4885SMN1; SMN2 2297/4885

“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.