SCHEMBL18028126

SCHEMBL18028126

O=C(CCCl)Nc1ccc(N2CCC=C(N3CCOCC3)C2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.49
▸ NPC1 O15118 3/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ ALDH1A1 P00352 4/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ POLB P06746 3/20 0.46
▸ USP2 O75604 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ CNR1 P21554 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ CNR2 P34972 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43

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
SCHEMBL16730277 0.94 NPC1 (0.57) MAPTNPC1RAB9AALDH1A1MAPK1
SCHEMBL16730279 0.93 NPC1 (0.53) MAPTNPC1RAB9AALDH1A1MAPK1
SCHEMBL17713154 0.87 CNR1 (0.49) MAPTNPC1RAB9AALDH1A1MAPK1
SCHEMBL18383369 0.87 CNR1 (0.62) MAPTNPC1RAB9AALDH1A1MAPK1
SCHEMBL18058762 0.81 HDAC8 (0.41) MAPTNPC1RAB9AALDH1A1MAPK1
SCHEMBL18058760 0.80 PTGS2 (0.41) MAPTMAPK1KMT2ASMN1; SMN2MEN1
SCHEMBL18028145 0.79 NPC1 (0.45) MAPTNPC1RAB9AALDH1A1MAPK1
SCHEMBL18028138 0.79 MAPT (0.45) MAPTNPC1RAB9AALDH1A1MAPK1
SCHEMBL21890845 0.78 RPS6KA3 (0.40) MAPTNPC1RAB9AALDH1A1MAPK1
SCHEMBL16730425 0.78 MAPT (0.44) MAPTNPC1RAB9AALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9815833-B2 Pyridine derivative and medical use thereof CHENGDU EASTON BIOPHARMACEUTICALS CO., LTD. (CN) 2017-11-14 — — US disclosed
US-20160244440-A1 PYRIDINE DERIVATIVE AND MEDICAL USE THEREOF Zhejiang Yatai Pharmaceutical Co., Ltd. (CN) 2016-08-25 — — 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-20160244440-A1 PYRIDINE DERIVATIVE AND MEDICAL USE THEREOF PEPD, F2, XDH MAPT 4645/4885NPC1 3778/4885RAB9A 2859/4885

“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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