SCHEMBL10158490

SCHEMBL10158490

CNCCc1nnn(C)n1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
TAAR1 Q96RJ0 2/20 0.38
TSHR P16473 1/20 0.32
HTR1A P08908 1/20 0.31
HTR2C P28335 1/20 0.31
ATM Q13315 1/20 0.31
HRH3 Q9Y5N1 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
HRH4 Q9H3N8 1/20 0.31

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
SCHEMBL1509684 0.82
SCHEMBL13188950 0.76
Hydrochloric Acid SCHEMBL23277279 0.76 POLB (0.34) POLB
SCHEMBL23277327 0.71
SCHEMBL3815546 0.68 HTR1A (0.45) POLBTAAR1HTR1AHTR2CALDH1A1
SCHEMBL9070654 0.67
SCHEMBL4846761 0.66 RAB9A (0.46) POLBALDH1A1MAPTKMT2A
SCHEMBL25405270 0.64 HTR1A (0.39) POLBHTR1AHTR2C
SCHEMBL23033192 0.61 POLB (0.34) POLBTSHR
SCHEMBL12606599 0.61 HRH3 (0.57) TAAR1ATMHRH3MEN1ALDH1A1

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
CN-114599644-B Nicotinamide compound and herbicide composition containing the same 韩国化学研究院 2024-08-02 CN disclosed
CN-114599644-A Nicotinamide compound and herbicide composition containing the same 韩国化学研究院 2022-06-07 CN disclosed
WO-2021080330-A1 NICOTINAMIDE COMPOUND AND HERBICIDAL COMPOSITION COMPRISING COMPOUND 한국화학연구원 2021-04-29 WO disclosed
US-8193164-B2 Organic compounds NOVARTIS AG (CH) 2012-06-05 US disclosed
US-20100190784-A1 Organic Compounds NOVARTIS AG 2010-07-29 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 (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-20100190784-A1 Organic Compounds CYP1B1, POLR2A, CYP1A1 POLB 84/4885TAAR1 2091/4885TSHR 1444/4885

“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.