SCHEMBL12700201

SCHEMBL12700201

O=C(O)c1ccccc1C(=O)Nc1ccc2c(c1)OCO2

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.75
RAB9A P51151 12/20 0.75
SMN1; SMN2 Q16637 7/20 0.75
TP53 P04637 3/20 0.75
HPGD P15428 2/20 0.75
MAPT P10636 6/20 0.70
TSHR P16473 1/20 0.70
PKM P14618 3/20 0.64
ALDH1A1 P00352 1/20 0.64
NFKB1 P19838 1/20 0.64
NFKB2 Q00653 1/20 0.64
RELA Q04206 1/20 0.64
KMT2A Q03164 5/20 0.62
MEN1 O00255 4/20 0.62
RXFP1 Q9HBX9 2/20 0.62
ALOX15 P16050 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62

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
SCHEMBL12172754 0.91 NPC1 (0.75) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL22113950 0.90 NPC1 (0.78) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL22223424 0.86 NPC1 (0.62) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL3455467 0.86 NPC1 (0.71) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL6295679 0.85 NPC1 (1.00) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL10520486 0.85 NPC1 (0.70) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL16127871 0.81 NPC1 (0.78) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL12010919 0.80 RAB9A (0.84) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL27179668 0.80 RAB9A (0.90) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL13265954 0.79 TOP1 (0.65) NPC1RAB9ASMN1; SMN2TP53HPGD

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
US-9464065-B2 Compounds and methods for inducing chondrogenesis THE SCRIPPS RESEARCH INSTITUTE (US) 2016-10-11 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
WO-2014151953-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2014-09-25 WO 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 (5 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 3332/4885SMN1; SMN2 3908/4885
US-11045476-B2 Compounds and methods for inducing chondrogenesis COL2A1, BMP4, COL1A1 NPC1 3474/4885RAB9A 3139/4885SMN1; SMN2 3412/4885
US-20160045514-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS COL2A1, BMP4, COL1A1 NPC1 3474/4885RAB9A 3139/4885SMN1; SMN2 3412/4885
US-20170112843-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS COL2A1, BMP4, BMP2 NPC1 3340/4885RAB9A 3332/4885SMN1; SMN2 3908/4885
US-20200188407-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS COL2A1, BMP4, COL1A1 NPC1 3474/4885RAB9A 3139/4885SMN1; SMN2 3412/4885

“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.