SCHEMBL12700249

SCHEMBL12700249

CC(=O)c1ccccc1C(=O)Nc1ccc(C#N)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
TAS1R3 Q7RTX0 1/20 0.55
TAS1R1 Q7RTX1 1/20 0.55
TAS1R2 Q8TE23 1/20 0.55
HTT P42858 2/20 0.55
TMPRSS4 Q9NRS4 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
ALDH1A1 P00352 2/20 0.50
EGLN1 Q9GZT9 1/20 0.50
BRD4 O60885 1/20 0.49
CREBBP Q92793 1/20 0.49
NAMPT P43490 2/20 0.49
MAPT P10636 2/20 0.49
MLYCD O95822 1/20 0.49
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.49
NLRP3 Q96P20 1/20 0.49

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
SCHEMBL12700352 0.87 HTT (0.71) KMT2ATAS1R3TAS1R1TAS1R2HTT
SCHEMBL12700214 0.86 KMT2A (0.52) KMT2ATAS1R3TAS1R1TAS1R2HTT
SCHEMBL13164045 0.86 HPGD (0.68) KMT2ATAS1R3TAS1R1TAS1R2HTT
SCHEMBL12700251 0.85 MEN1 (0.59) KMT2ATAS1R3TAS1R1TAS1R2TMPRSS4
SCHEMBL12700388 0.84 LMNA (0.57) KMT2ATAS1R3TAS1R1TAS1R2HTT
SCHEMBL5080926 0.84 LMNA (0.68) KMT2ATAS1R3TAS1R1TAS1R2HTT
SCHEMBL12700387 0.83 KMT2A (0.52) KMT2ATAS1R3TAS1R1TAS1R2HTT
SCHEMBL7241950 0.83 KMT2A (0.51) KMT2ATAS1R3TAS1R1TAS1R2TMPRSS4
SCHEMBL15290401 0.83 PTGS1 (0.60) KMT2ATAS1R3TAS1R1TAS1R2HTT
SCHEMBL28084401 0.83 KMT2A (0.68) KMT2ATAS1R3TAS1R1TAS1R2HTT

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 KMT2A 3000/4885TAS1R3 4328/4885TAS1R1 4478/4885
US-20170112843-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS COL2A1, BMP4, BMP2 KMT2A 3000/4885TAS1R3 4328/4885TAS1R1 4478/4885

“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.