SCHEMBL2970074

SCHEMBL2970074

CC(=O)Nc1ccc(C2NCC(C)(C(=O)O)O2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 4/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ CYP2C19 P33261 2/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ HTT P42858 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ NAMPT P43490 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ NAPRT Q6XQN6 1/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ NR1I2 O75469 1/20 0.38

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
SCHEMBL2701567 0.76 LMNA (0.37) HSD17B10KDM4ESMN1; SMN2ALDH1A1
SCHEMBL2981906 0.70 NPC1 (0.41) HSD17B10KDM4ECYP2C19HTTSMN1; SMN2
SCHEMBL23063924 0.69 SMN1; SMN2 (0.50) HSD17B10KDM4ECYP2C19RAB9AHTT
SCHEMBL5868999 0.68 SLC18A3 (0.63) HSD17B10KDM4ECYP2C19RAB9AHTT
SCHEMBL21597981 0.68 HSD17B10 (0.55) HSD17B10KDM4ECYP2C19RAB9AHTT
SCHEMBL28584612 0.65 NAMPT (0.61) HSD17B10KDM4ECYP2C19RAB9AHTT
SCHEMBL861674 0.65 SMN1; SMN2 (0.84) HSD17B10KDM4ECYP2C19RAB9AHTT
SCHEMBL9108563 0.64 SMN1; SMN2 (0.52) HSD17B10KDM4ECYP2C19RAB9AHTT
SCHEMBL13414995 0.64 SMN1; SMN2 (0.52) HSD17B10KDM4ECYP2C19RAB9AHTT
SCHEMBL22335133 0.63 KDM1A (0.63) HSD17B10RAB9ASMN1; SMN2ALDH1A1L3MBTL1

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
EP-1817292-B1 NOVEL HETEROCYCLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA NV (BE) 2015-04-08 — — EP disclosed
US-20100267670-A1 NOVEL HETEROCYCLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) ZHANG XUQING 2010-10-21 — — US disclosed
US-7781473-B2 Heterocycle derivatives useful as selective androgen receptor modulators (SARMS) J & J Pharmaceutical Research & Development, LLC. (US) 2010-08-24 — — US disclosed
US-20090131365-A1 NOVEL HETEROCYCLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) ZHANG XUQING 2009-05-21 — — US disclosed
US-7465809-B2 Heterocycle derivatives useful as selective androgen receptor modulators (SARMs) JANSSEN PHARMACEUTICA N.V. (BG) 2008-12-16 — — US disclosed
US-20060211756-A1 Novel heterocycle derivatives useful as selective androgen receptor modulators (SARMs) JANSSEN PHARMACEUTICA N.V. (BE) 2006-09-21 — — 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 (3 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-20060211756-A1 Novel heterocycle derivatives useful as selective androgen receptor modulators (SARMs) AR, NR5A1, NR5A2 HSD17B10 144/4885KDM4E 1504/4885CYP2C19 404/4885
US-20090131365-A1 NOVEL HETEROCYCLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) AR, NR5A1, NR5A2 HSD17B10 144/4885KDM4E 1504/4885CYP2C19 404/4885
US-20100267670-A1 NOVEL HETEROCYCLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) AR, NR5A1, NR5A2 HSD17B10 144/4885KDM4E 1504/4885CYP2C19 404/4885

“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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