SCHEMBL16088713

SCHEMBL16088713

C#Cc1cccc(NC(=O)c2ccccc2NS(C)(=O)=O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.60
▸ KMT2A Q03164 4/20 0.60
▸ KDM4E B2RXH2 4/20 0.60
▸ MEN1 O00255 3/20 0.60
▸ HTT P42858 3/20 0.60
▸ RXFP1 Q9HBX9 3/20 0.60
▸ HPGD P15428 2/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ MAPK1 P28482 1/20 0.59
▸ ATM Q13315 1/20 0.56
▸ TSHR P16473 2/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ P2RX1 P51575 1/20 0.52
▸ HSD17B10 Q99714 3/20 0.49
▸ IDH1 O75874 1/20 0.49
▸ NR1H4 Q96RI1 1/20 0.48
▸ SLC10A2 Q12908 1/20 0.48
▸ SLC10A1 Q14973 1/20 0.48

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
SCHEMBL16127951 0.88 HTT (0.63) ALDH1A1KMT2AKDM4EMEN1HTT
SCHEMBL19221685 0.81 HTT (0.72) ALDH1A1KMT2AKDM4EMEN1HTT
SCHEMBL16127948 0.81 HPGD (0.66) ALDH1A1KMT2AKDM4EMEN1HTT
SCHEMBL17531730 0.80 MEN1 (0.52) ALDH1A1KMT2AMEN1HTTRXFP1
SCHEMBL836015 0.79 KCNK3 (0.63) ALDH1A1KMT2AMEN1HTTRXFP1
SCHEMBL12099694 0.78 P2RX1 (0.71) KMT2AKDM4EMEN1HTTRXFP1
SCHEMBL13927148 0.78 HTT (0.74) ALDH1A1KMT2AMEN1HTTRXFP1
SCHEMBL3648353 0.77 KEAP1 (0.52) ALDH1A1KMT2AMEN1HTTSMN1; SMN2
SCHEMBL13023055 0.76 MEN1 (0.63) ALDH1A1KMT2AMEN1HTTRXFP1
SCHEMBL16127827 0.76 HTT (0.65) ALDH1A1KMT2AKDM4EMEN1HTT

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-9452170-B2 Compounds and methods for inducing chondrogenesis THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2016-09-27 — — 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
US-20140271955-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS THE SCRIPPS RESEARCH INSTITUTE (US) 2014-09-18 — — 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 (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-20160045514-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS COL2A1, BMP4, COL1A1 ALDH1A1 52/4885KMT2A 3871/4885KDM4E 3497/4885
US-20140271955-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS COL2A1, BMP4, COL1A1 ALDH1A1 52/4885KMT2A 3871/4885KDM4E 3497/4885

“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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