SCHEMBL17538569

SCHEMBL17538569

NCc1cccc(NC(=O)c2ccccc2C(=O)O)c1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.63
KMT2A Q03164 2/20 0.62
MEN1 O00255 1/20 0.62
HTT P42858 1/20 0.58
AURKB Q96GD4 1/20 0.57
CYP1A2 P05177 1/20 0.55
CFD P00746 1/20 0.53
LMNA P02545 1/20 0.52
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
ALOX12 P18054 1/20 0.50
PLG P00747 1/20 0.50
KLK1 P06870 1/20 0.50
KLK6 Q92876 1/20 0.50

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
SCHEMBL18132586 0.87 ALDH1A1 (0.65) ALDH1A1KMT2AMEN1HTTCYP1A2
SCHEMBL12700210 0.86 ALDH1A1 (0.69) ALDH1A1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL27484183 0.85 FADS1 (0.60) ALDH1A1AURKBCFDPLGKLK1
SCHEMBL13927138 0.84 ALDH1A1 (0.81) ALDH1A1KMT2AMEN1HTTCYP1A2
SCHEMBL23367948 0.84 SMN1; SMN2 (0.68) ALDH1A1KMT2AMEN1AURKB
SCHEMBL27952999 0.84 AURKB (0.56) ALDH1A1AURKBCFDPLGKLK1
SCHEMBL6681834 0.83 KCNK3 (0.69) KMT2AMEN1CFD
SCHEMBL17538575 0.83 ALDH1A1 (0.63) ALDH1A1KMT2AMEN1HTTCYP1A2
SCHEMBL27795055 0.83 PLG (0.60) KMT2AMEN1AURKBPLGKLK1
SCHEMBL12700341 0.83 KMT2A (0.63) ALDH1A1KMT2AMEN1HTTCYP1A2

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
EP-2968330-B1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS SCRIPPS RESEARCH INST (US) 2021-09-29 EP disclosed
US-11045476-B2 Compounds and methods for inducing chondrogenesis THE SCRIPPS RESEARCH INSTITUTE (US) 2021-06-29 US disclosed
US-20200188407-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS THE SCRIPPS RESEARCH INSTITUTE 2020-06-18 US disclosed
US-9452170-B2 Compounds and methods for inducing chondrogenesis THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2016-09-27 US disclosed
US-20160045514-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2016-02-18 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 (3 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-11045476-B2 Compounds and methods for inducing chondrogenesis COL2A1, BMP4, COL1A1 ALDH1A1 52/4885KMT2A 3871/4885MEN1 4679/4885
US-20160045514-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS COL2A1, BMP4, COL1A1 ALDH1A1 52/4885KMT2A 3871/4885MEN1 4679/4885
US-20200188407-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS COL2A1, BMP4, COL1A1 ALDH1A1 52/4885KMT2A 3871/4885MEN1 4679/4885

“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.