SCHEMBL3574503

SCHEMBL3574503

C#Cc1ccc2cccc(CNC(=O)N3CCCC3C(=O)O)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
AVPR2 P30518 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TACR1 P25103 1/20 0.42
P2RX7 Q99572 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 1/20 0.41
DPP4 P27487 1/20 0.41
FKBP1A P62942 1/20 0.40
MC4R P32245 2/20 0.40
MC1R Q01726 2/20 0.40
MC3R P41968 1/20 0.40
USP2 O75604 1/20 0.40
NQO2 P16083 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ITGB3 P05106 1/20 0.40

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
SCHEMBL3574501 1.00 POLB (0.48) POLBAVPR2MEN1KMT2ATACR1
SCHEMBL3576203 0.85 POLB (0.46) POLBMEN1KMT2ATACR1P2RX7
SCHEMBL3578218 0.85 POLB (0.54) POLBMEN1KMT2AP2RX7CYP3A4
SCHEMBL3580912 0.85 POLB (0.46) POLBMEN1KMT2ATACR1P2RX7
SCHEMBL3580594 0.85 MEN1 (0.42) POLBAVPR2MEN1KMT2ATACR1
SCHEMBL3681344 0.84 POLB (0.58) POLBAVPR2MEN1KMT2AP2RX7
SCHEMBL3579936 0.84 POLB (0.45) POLBMEN1KMT2ATACR1P2RX7
SCHEMBL3575490 0.84 POLB (0.45) POLBMEN1KMT2ATACR1P2RX7
SCHEMBL3579602 0.83 POLB (0.49) POLBMEN1KMT2ATACR1CYP3A4
SCHEMBL3579963 0.83 POLB (0.52) POLBMEN1KMT2AP2RX7CYP3A4

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
US-20130028843-A1 KALLIKREIN 7 MODULATORS NOVARTIS AG (CH) 2013-01-31 US disclosed
US-8309596-B2 Kallikrein 7 modulators NOVARTIS AG (CH) 2012-11-13 US disclosed
US-20100256144-A1 Kallikrein 7 modulators NOVARTIS AG (CH) 2010-10-07 US disclosed
EP-2170939-A1 KALLIKREIN 7 MODULATORS Novartis Ag (CH) 2010-04-07 EP disclosed
WO-2009000878-A1 KALLIKREIN 7 MODULATORS NOVARTIS AG (CH) 2008-12-31 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-20130028843-A1 KALLIKREIN 7 MODULATORS KLK7, KLK5, KLKB1 POLB 4716/4885AVPR2 615/4885MEN1 921/4885
US-20100256144-A1 Kallikrein 7 modulators KLK7, KLK5, KLKB1 POLB 4716/4885AVPR2 615/4885MEN1 921/4885

“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.