SCHEMBL3640229

SCHEMBL3640229

CCCc1cc(CBr)ccn1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
LMNA P02545 3/20 0.51
CYP3A4 P08684 1/20 0.51
TSHR P16473 1/20 0.51
SREBF2 Q12772 12/20 0.42
MAPT P10636 3/20 0.41
ATM Q13315 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
RECQL P46063 1/20 0.41
ALDH1A1 P00352 1/20 0.39
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL487201 0.85 KDM4E (0.56) KDM4ELMNACYP3A4TSHRSREBF2
SCHEMBL10066451 0.83 NOS3 (0.55) KDM4ELMNACYP3A4TSHRSREBF2
SCHEMBL2932292 0.83 POLB (0.47) KDM4ELMNACYP3A4TSHRSREBF2
SCHEMBL17911800 0.81 TRPA1 (0.36) TSHRMAPTRECQLALDH1A1NOS3
SCHEMBL3638740 0.80 KDM4E (0.56) KDM4ELMNACYP3A4TSHRSREBF2
SCHEMBL27756399 0.80 KDM4E (0.51) KDM4ELMNACYP3A4TSHRSREBF2
SCHEMBL18924478 0.78 KDM4E (0.50) KDM4ELMNACYP3A4TSHRSREBF2
SCHEMBL16544526 0.78 CYP3A4 (0.50) KDM4ELMNACYP3A4TSHRL3MBTL1
SCHEMBL539420 0.78 KDM4E (0.53) KDM4ELMNACYP3A4TSHRSREBF2
SCHEMBL17000197 0.77 KDM4E (0.49) KDM4ELMNACYP3A4TSHRSREBF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018161-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2024-01-18 US disclosed
US-9765065-B2 Therapeutic substituted cyclopentanes ALLERGAN, INC. (US) 2017-09-19 US disclosed
US-20170144999-A1 THERAPEUTIC SUBSTITUTED CYCLOPENTANES ALLERGAN, INC. 2017-05-25 US disclosed
US-9591935-B2 Therapeutic substituted cyclopentanes ALLERGEN, INC. (US) 2017-03-14 US disclosed
EP-2170345-B1 THERAPEUTIC SUBSTITUTED CYCLOPENTANES FOR REDUCING INTRAOCULAR PRESSURE ALLERGAN INC (US) 2013-03-06 EP disclosed
US-20110062165-A1 BALANCED INDIVIDUAL DINING PLATE ALLERGAN INC 2011-03-17 US disclosed
EP-2170345-A1 THERAPEUTIC SUBSTITUTED CYCLOPENTANES FOR REDUCING INTRAOCULAR PRESSURE Allergan, Inc. (US) 2010-04-07 EP disclosed
WO-2009006370-A1 THERAPEUTIC SUBSTITUTED CYCLOPENTANES FOR REDUCING INTRAOCULAR PRESSURE ALLERGAN, INC. (US) 2009-01-08 WO 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 (2 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-20240018161-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B KDM4E 4201/4885LMNA 3702/4885CYP3A4 4023/4885
US-20170144999-A1 THERAPEUTIC SUBSTITUTED CYCLOPENTANES CYP11B2, CYP11B1, HMGCR KDM4E 2506/4885LMNA 1312/4885CYP3A4 562/4885

“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.