SCHEMBL12700386

SCHEMBL12700386

N#Cc1ccc(-c2c[nH]c3c(C(=O)O)cccc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ XDH P47989 4/20 0.43
▸ SLC22A12 Q96S37 4/20 0.43
▸ BRS3 P32247 1/20 0.41
▸ PRKAB2 O43741 2/20 0.40
▸ PRKAG1 P54619 2/20 0.40
▸ PRKAA2 P54646 2/20 0.40
▸ PRKAA1 Q13131 2/20 0.40
▸ PRKAG3 Q9UGI9 2/20 0.40
▸ PRKAG2 Q9UGJ0 2/20 0.40
▸ PRKAB1 Q9Y478 2/20 0.40
▸ CAMKK2 Q96RR4 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ SGK1 O00141 1/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ PIM1 P11309 1/20 0.39

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
SCHEMBL5414753 0.77 DYRK1A (0.58) HTTSMN1; SMN2PRKAB2PRKAG1PRKAA2
SCHEMBL6164290 0.75 BRS3 (0.57) HTTXDHSLC22A12BRS3LTB4R2
SCHEMBL30771213 0.74 HTT (0.45) HTTSMN1; SMN2CAMKK2ROCK2MAPT
SCHEMBL2811213 0.74 HTT (0.59) HTTSMN1; SMN2MAPTKDM4EPIM1
SCHEMBL29415445 0.74 HTT (0.59) HTTSMN1; SMN2MAPTKDM4EPIM1
SCHEMBL3332983 0.74 GFER (0.42) HTTSMN1; SMN2GFER
SCHEMBL11805019 0.73 BRS3 (0.56) XDHSLC22A12BRS3LTB4R2
SCHEMBL13302169 0.73 SMN1; SMN2 (0.44) HTTSMN1; SMN2PRKAB2PRKAG1PRKAA2
SCHEMBL2744720 0.73 TSHR (0.47) HTTXDHSLC22A12BRS3PARP1
SCHEMBL2744074 0.73 LTB4R2 (0.46) HTTSMN1; SMN2XDHSLC22A12BRS3

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 6 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-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
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 3563/4885SMN1; SMN2 3908/4885XDH 2258/4885
US-20170112843-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS COL2A1, BMP4, BMP2 HTT 3563/4885SMN1; SMN2 3908/4885XDH 2258/4885

“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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