SCHEMBL12700361

SCHEMBL12700361

O=C(O)c1ccccc1C(=O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.71
RAB9A P51151 1/20 0.71
PTGS1 P23219 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
ALDH1A1 P00352 2/20 0.69
KDM4E B2RXH2 1/20 0.59
EPHX2 P34913 1/20 0.56
RXFP1 Q9HBX9 1/20 0.55
CYP1A2 P05177 1/20 0.55
GFER P55789 1/20 0.55
MAOB P27338 1/20 0.54
ABCG2 Q9UNQ0 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
ALOX12 P18054 1/20 0.54

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
SCHEMBL13927135 0.86 ALDH1A1 (0.92) ALDH1A1KDM4ECYP1A2GFERCYP3A4
SCHEMBL10797383 0.86 P2RX1 (0.73) PTGS1ALDH1A1RXFP1
SCHEMBL11582566 0.84 SORT1 (0.61) NPC1RAB9APTGS1SMN1; SMN2ALDH1A1
SCHEMBL22820183 0.84 NPC1 (0.67) NPC1RAB9APTGS1SMN1; SMN2EPHX2
SCHEMBL22223419 0.84 RAB9A (0.58) NPC1RAB9APTGS1SMN1; SMN2ALDH1A1
SCHEMBL2638776 0.84 PTGS1 (0.70) NPC1RAB9APTGS1SMN1; SMN2EPHX2
SCHEMBL2698258 0.84 P2RX1 (0.75) NPC1RAB9APTGS1SMN1; SMN2KDM4E
SCHEMBL30665186 0.84 P2RX1 (0.75) NPC1RAB9APTGS1SMN1; SMN2KDM4E
SCHEMBL14149914 0.83 KIF11 (0.64) PTGS1ALDH1A1RXFP1
SCHEMBL7814990 0.83 P2RX1 (0.74) RAB9APTGS1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10166237-B2 Compounds and methods for inducing chondrogenesis THE SCRIPPS RESEARCH INSTITUTE (US) 2019-01-01 US disclosed
US-20170112843-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS THE SCRIPPS RESEARCH INSTITUTE 2017-04-27 US disclosed
US-20170112843-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS THE SCRIPPS RESEARCH INSTITUTE 2017-04-27 US disclosed
US-9464065-B2 Compounds and methods for inducing chondrogenesis THE SCRIPPS RESEARCH INSTITUTE (US) 2016-10-11 US disclosed
US-9464065-B2 Compounds and methods for inducing chondrogenesis THE SCRIPPS RESEARCH INSTITUTE (US) 2016-10-11 US disclosed
WO-2012129562-A2 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS THE SCRIPPS RESEARCH INSTITUTE (US) 2012-09-27 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-10166237-B2 Compounds and methods for inducing chondrogenesis COL2A1, BMP4, BMP2 NPC1 3340/4885RAB9A 3332/4885PTGS1 35/4885
US-20170112843-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS COL2A1, BMP4, BMP2 NPC1 3340/4885RAB9A 3332/4885PTGS1 35/4885

“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.