SCHEMBL18028138

SCHEMBL18028138

Cc1cc(NC(=O)CCCCl)ccc1N1CCC=C(N2CCOCC2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 12/20 0.45
▸ L3MBTL1 Q9Y468 4/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ ALDH1A1 P00352 5/20 0.44
▸ USP2 O75604 2/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ TSHR P16473 1/20 0.43
▸ LMNA P02545 3/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HTT P42858 3/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41

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
SCHEMBL16730425 0.97 MAPT (0.44) MAPTL3MBTL1KDM4EALOX15NPC1
SCHEMBL16730285 0.91 MAPT (0.43) MAPTL3MBTL1KDM4EALOX15NPC1
SCHEMBL16730429 0.87 MAPT (0.49) MAPTL3MBTL1KDM4EALOX15NPC1
SCHEMBL16730277 0.85 NPC1 (0.57) MAPTL3MBTL1KDM4EALOX15NPC1
SCHEMBL16730279 0.82 NPC1 (0.53) MAPTL3MBTL1KDM4EALOX15NPC1
SCHEMBL18028145 0.82 NPC1 (0.45) MAPTL3MBTL1KDM4EALOX15NPC1
SCHEMBL18028126 0.79 MAPT (0.49) MAPTNPC1RAB9AALDH1A1USP2
SCHEMBL18383369 0.76 CNR1 (0.62) MAPTL3MBTL1KDM4ENPC1RAB9A
SCHEMBL16730286 0.75 MAPT (0.46) MAPTL3MBTL1KDM4EALOX15ALDH1A1
SCHEMBL17713154 0.74 CNR1 (0.49) MAPTL3MBTL1KDM4EALOX15NPC1

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
US-9815833-B2 Pyridine derivative and medical use thereof CHENGDU EASTON BIOPHARMACEUTICALS CO., LTD. (CN) 2017-11-14 — — US disclosed
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
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 4645/4885L3MBTL1 4779/4885KDM4E 938/4885

“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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