SCHEMBL3671200

SCHEMBL3671200

Nc1cccc(C(=O)O)c1NCCO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.49
CDC25B P30305 1/20 0.42
KDM4E B2RXH2 4/20 0.41
GLA P06280 2/20 0.41
G6PD P11413 1/20 0.41
CASP7 P55210 1/20 0.41
CASP6 P55212 1/20 0.41
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 3/20 0.40
RAB9A P51151 2/20 0.40
GAA P10253 2/20 0.40
MITF O75030 1/20 0.40
LMNA P02545 1/20 0.40
TTR P02766 1/20 0.40
POLB P06746 1/20 0.40
RAD52 P43351 1/20 0.40
NPC1 O15118 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40

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
SCHEMBL3672546 0.83 KDM4E (0.59) KDM4EGLACASP7ALDH1A1HSD17B10
SCHEMBL3666211 0.82 POLB (0.46) KDM4EGLACASP7ALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL9012929 0.80 KDM4E (0.44) KDM4EGLACASP7ALDH1A1HSD17B10
SCHEMBL7945719 0.79 KDM4E (0.56) MMP2CDC25BKDM4EALDH1A1HSD17B10
SCHEMBL31413919 0.77 ALDH1A1 (0.41) MMP2KDM4EALDH1A1HSD17B10GAA
SCHEMBL5924210 0.77 KDM4E (0.47) CDC25BKDM4EGLACASP7CASP6
SCHEMBL306292 0.75 MMP2 (0.55) MMP2CDC25BKDM4EG6PDCASP7
SCHEMBL3035419 0.75 CDK2 (0.59) KDM4EALDH1A1RAB9AGAAKMT2A
SCHEMBL3666677 0.74 ALDH1A1 (0.53) KDM4EGLACASP7ALDH1A1HSD17B10
SCHEMBL3035099 0.74 EGFR (0.41) KDM4EGLACASP7ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8901141-B2 Tricyclic compounds having corticotropin-releasing factor antagonistic activity and pharmaceutical compositions containing them TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2014-12-02 US disclosed
EP-2240485-B1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TAKEDA PHARMACEUTICAL (JP) 2014-10-15 EP disclosed
US-8785460-B2 Tricyclic compounds and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-22 US disclosed
US-20100298287-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-25 US disclosed
EP-2240485-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Takeda Pharmaceutical Company Limited (JP) 2010-10-20 EP disclosed
WO-2009093747-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-07-30 WO disclosed
US-20090186879-A1 TRICYCLIC COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-07-23 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-20090186879-A1 TRICYCLIC COMPOUNDS AND USE THEREOF CRHR1, CRHR2, HCRTR1 MMP2 1971/4885CDC25B 2737/4885KDM4E 2435/4885
US-20100298287-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CRH, CRHR1, CRHR2 MMP2 1566/4885CDC25B 3035/4885KDM4E 3544/4885

“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.