SCHEMBL12700352

SCHEMBL12700352

N#Cc1ccc(NC(=O)c2ccccc2C(=O)O)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.71
ALDH1A1 P00352 3/20 0.69
KMT2A Q03164 4/20 0.56
TAS1R3 Q7RTX0 1/20 0.55
TAS1R1 Q7RTX1 1/20 0.55
TAS1R2 Q8TE23 1/20 0.55
CYP1A2 P05177 1/20 0.55
GFER P55789 1/20 0.55
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
ALOX12 P18054 1/20 0.54
TMPRSS4 Q9NRS4 1/20 0.54
MEN1 O00255 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
F2 P00734 1/20 0.51
PLG P00747 1/20 0.51
PLAU P00749 1/20 0.51
KLKB1 P03952 1/20 0.51
PRSS1 P07477 1/20 0.51
NPC1 O15118 1/20 0.51

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
SCHEMBL16127944 0.89 CYP2C9 (0.71) HTTALDH1A1KMT2ATAS1R3TAS1R1
SCHEMBL12700249 0.87 KMT2A (0.56) HTTALDH1A1KMT2ATAS1R3TAS1R1
SCHEMBL13927135 0.86 ALDH1A1 (0.92) HTTALDH1A1KMT2ACYP1A2GFER
SCHEMBL12700233 0.86 HTT (0.61) HTTALDH1A1KMT2ATAS1R3TAS1R1
SCHEMBL18132541 0.86 HTT (0.61) HTTALDH1A1KMT2ATAS1R3TAS1R1
SCHEMBL18132577 0.86 TAS1R3 (0.66) HTTALDH1A1KMT2ATAS1R3TAS1R1
SCHEMBL12614518 0.84 HTT (0.59) HTTALDH1A1KMT2ATAS1R3TAS1R1
SCHEMBL12700388 0.84 LMNA (0.57) HTTALDH1A1KMT2ATAS1R3TAS1R1
SCHEMBL5080926 0.84 LMNA (0.68) HTTKMT2ATAS1R3TAS1R1TAS1R2
SCHEMBL13927147 0.84 ALDH1A1 (0.69) HTTALDH1A1KMT2ACYP1A2GFER

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 4 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-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 HTT 3563/4885ALDH1A1 63/4885KMT2A 3000/4885
US-20170112843-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS COL2A1, BMP4, BMP2 HTT 3563/4885ALDH1A1 63/4885KMT2A 3000/4885

“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.