SCHEMBL12189604

SCHEMBL12189604

O=C(c1ccccc1)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GFER P55789 1/20 0.75
▸ ALDH1A1 P00352 5/20 0.73
▸ RAB9A P51151 4/20 0.71
▸ MEN1 O00255 3/20 0.71
▸ KMT2A Q03164 3/20 0.71
▸ NPC1 O15118 1/20 0.71
▸ FFAR1 O14842 1/20 0.70
▸ MAPT P10636 1/20 0.66
▸ TDP1 Q9NUW8 1/20 0.62
▸ L3MBTL1 Q9Y468 2/20 0.59
▸ AKR1C3 P42330 1/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ CYP3A4 P08684 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ ALOX12 P18054 1/20 0.57
▸ SMO Q99835 1/20 0.57
▸ KDM4E B2RXH2 1/20 0.56
▸ POLB P06746 1/20 0.56
▸ MAPK13 O15264 1/20 0.55
▸ MAPK12 P53778 1/20 0.55

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
SCHEMBL2058694 0.89 ALDH1A1 (0.79) GFERALDH1A1MEN1KMT2AFFAR1
SCHEMBL13927135 0.89 ALDH1A1 (0.92) GFERALDH1A1MEN1KMT2ATDP1
SCHEMBL9067133 0.85 ALDH1A1 (0.71) GFERALDH1A1RAB9AMEN1KMT2A
SCHEMBL1991348 0.85 ALDH1A1 (1.00) GFERALDH1A1RAB9AMEN1KMT2A
SCHEMBL45299 0.85 ALDH1A1 (1.00) GFERALDH1A1RAB9AMEN1KMT2A
SCHEMBL7824357 0.85 ALDH1A1 (0.71) GFERALDH1A1RAB9AMEN1KMT2A
SCHEMBL18132524 0.85 ALDH1A1 (0.71) GFERALDH1A1RAB9AMEN1KMT2A
SCHEMBL18132521 0.85 ALDH1A1 (0.71) GFERALDH1A1MEN1KMT2ATDP1
SCHEMBL12189613 0.84 SERPINE1 (0.65) GFERALDH1A1RAB9AMEN1KMT2A
SCHEMBL8768933 0.83 NPC1 (1.00) ALDH1A1RAB9AMEN1KMT2ANPC1

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 9 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
US-20150031663-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE UNIVERSITY OF NOTRE DAME DU LAC (US) 2015-01-29 — — US disclosed
US-8859620-B2 Phthalanilate compounds and methods of use UNIVERSITY OF NOTRE DAME DU LAC (US) 2014-10-14 — — US disclosed
WO-2012129562-A2 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS THE SCRIPPS RESEARCH INSTITUTE (US) 2012-09-27 — — WO disclosed
US-20120232150-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE University of Nortre Dame du Lac 2012-09-13 — — 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 (4 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-20120232150-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE MPO, ALPI, NQO1 GFER 635/4885ALDH1A1 1052/4885RAB9A 3788/4885
US-10166237-B2 Compounds and methods for inducing chondrogenesis COL2A1, BMP4, BMP2 GFER 4297/4885ALDH1A1 63/4885RAB9A 3332/4885
US-20170112843-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS COL2A1, BMP4, BMP2 GFER 4297/4885ALDH1A1 63/4885RAB9A 3332/4885
US-20150031663-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE MPO, ALPI, NQO1 GFER 635/4885ALDH1A1 1052/4885RAB9A 3788/4885

“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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