SCHEMBL18028145

SCHEMBL18028145

Cc1cc(N2CCC=C(N3CCOCC3)C2=O)ccc1NC(=O)CCCCl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ MAPT P10636 8/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ USP2 O75604 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ TSHR P16473 2/20 0.41
▸ HTT P42858 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ LMNA P02545 3/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ AKT1 P31749 1/20 0.39
▸ HDAC3 O15379 1/20 0.38

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
SCHEMBL16730290 0.91 SMN1; SMN2 (0.42) NPC1RAB9AMAPTKDM4EL3MBTL1
SCHEMBL16730277 0.85 NPC1 (0.57) NPC1RAB9AMAPTKDM4EL3MBTL1
SCHEMBL16730279 0.82 NPC1 (0.53) NPC1RAB9AMAPTKDM4EL3MBTL1
SCHEMBL18028138 0.82 MAPT (0.45) NPC1RAB9AMAPTKDM4EL3MBTL1
SCHEMBL16730425 0.79 MAPT (0.44) NPC1RAB9AMAPTKDM4EL3MBTL1
SCHEMBL18028126 0.79 MAPT (0.49) NPC1RAB9AMAPTUSP2ALDH1A1
SCHEMBL18383369 0.76 CNR1 (0.62) NPC1RAB9AMAPTKDM4EL3MBTL1
SCHEMBL16730289 0.75 LGMN (0.43) NPC1RAB9AMAPTKDM4EL3MBTL1
SCHEMBL17713154 0.74 CNR1 (0.49) NPC1RAB9AMAPTKDM4EL3MBTL1
SCHEMBL16730429 0.74 MAPT (0.49) NPC1RAB9AMAPTKDM4EL3MBTL1

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 NPC1 3778/4885RAB9A 2859/4885MAPT 4645/4885

“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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