SCHEMBL12700390

SCHEMBL12700390

N#Cc1ccc(NC(=O)c2ccccc2CO)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.63
RAB9A P51151 2/20 0.63
TP53 P04637 1/20 0.63
KMT2A Q03164 2/20 0.52
BCAT2 O15382 1/20 0.51
TAS1R3 Q7RTX0 1/20 0.51
TAS1R1 Q7RTX1 1/20 0.51
TAS1R2 Q8TE23 1/20 0.51
TMPRSS4 Q9NRS4 1/20 0.50
EGLN1 Q9GZT9 1/20 0.50
ALDH1A1 P00352 1/20 0.49
ADRB2 P07550 1/20 0.49
HTT P42858 1/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 2/20 0.48
SAE1 Q9UBE0 1/20 0.48
UBA2 Q9UBT2 1/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
L3MBTL1 Q9Y468 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
SCHEMBL12700237 0.86 BCAT2 (0.73) NPC1RAB9ATP53KMT2ABCAT2
SCHEMBL1193435 0.82 BCAT2 (0.72) NPC1RAB9ATP53KMT2ABCAT2
SCHEMBL22275672 0.81 LMNA (0.70) KMT2AALDH1A1LMNAGAAHPGD
SCHEMBL12700352 0.80 HTT (0.71) NPC1RAB9AKMT2ATAS1R3TAS1R1
SCHEMBL5080926 0.80 LMNA (0.68) NPC1RAB9ATP53KMT2ATAS1R3
SCHEMBL12700249 0.80 KMT2A (0.56) NPC1RAB9AKMT2ATAS1R3TAS1R1
SCHEMBL6815750 0.80 RAB9A (0.63) NPC1RAB9ATP53KMT2ABCAT2
SCHEMBL12700388 0.80 LMNA (0.57) NPC1RAB9AKMT2ATAS1R3TAS1R1
SCHEMBL16127826 0.80 KMT2A (0.50) NPC1RAB9AKMT2ATAS1R3TAS1R1
SCHEMBL16088831 0.79 CHRNB2 (0.71) TP53KMT2ATAS1R3TAS1R1TAS1R2

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 NPC1 3340/4885RAB9A 3332/4885TP53 816/4885
US-20170112843-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS COL2A1, BMP4, BMP2 NPC1 3340/4885RAB9A 3332/4885TP53 816/4885

“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.