SCHEMBL5216933

SCHEMBL5216933

COc1ccc(-c2nn(C3CCC3)c(-c3ccc(OC)cc3)c2Br)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 5/20 0.40
HSD17B10 Q99714 3/20 0.40
ALOX15 P16050 2/20 0.40
TSHR P16473 2/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 2/20 0.40
SRC P12931 3/20 0.38
PIK3CD O00329 2/20 0.38
ABL1 P00519 2/20 0.38
EGFR P00533 2/20 0.38
HCK P08631 2/20 0.38
KDR P35968 2/20 0.38
PIK3CA P42336 2/20 0.38
PIK3CB P42338 2/20 0.38
MTOR P42345 2/20 0.38
PIK3CG P48736 2/20 0.38
EPHB4 P54760 2/20 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
SCHEMBL5219863 0.83 ESR1 (0.50) HSD17B10ALOX15TSHRLMNASRC
SCHEMBL5222471 0.82 PDE4A (0.41) SMN1; SMN2ALDH1A1HSD17B10ALOX15TSHR
SCHEMBL5216625 0.79 ESR1 (0.42) HSD17B10ALOX15TSHRLMNACMKLR1
SCHEMBL5379304 0.78 CMKLR1 (0.45) SMN1; SMN2NPC1RAB9AALDH1A1HSD17B10
SCHEMBL395263 0.71 CMKLR1 (0.45) ALDH1A1HSD17B10ALOX15TSHRHPGD
SCHEMBL5215073 0.70 ESR1 (0.49) ALDH1A1HSD17B10ALOX15TSHRLMNA
SCHEMBL395096 0.70 CYP1A2 (0.45) ALDH1A1HSD17B10TSHRHPGDLMNA
SCHEMBL8888577 0.69 KDM4E (0.46) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL1407427 0.69 ESR1 (0.46) SMN1; SMN2NPC1RAB9AALDH1A1HSD17B10
SCHEMBL4194778 0.69 ESR1 (0.46) SMN1; SMN2ALDH1A1HSD17B10ALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1102753-B1 PYRAZOLES AS ESTROGEN RECEPTOR MODULATORS NOVARTIS VACCINES & DIAGNOSTIC (US) 2007-02-28 EP disclosed
US-6727273-B2 THERAPY FOR OSTEOPOROSIS, ANTICANCER AGENTS CHIRON CORPORATION 2004-04-27 US disclosed
US-20040077701-A1 Estrogen receptor modulators CHIRON CORPORATION (US) 2004-04-22 US disclosed
US-20040034081-A9 ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION 2004-02-19 US disclosed
US-20020111374-A1 Estrogen receptor modulators CHIRON CORPORATION 2002-08-15 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-20040077701-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 SMN1; SMN2 4806/4885NPC1 954/4885RAB9A 2665/4885
US-20040034081-A9 ESTROGEN RECEPTOR MODULATORS ESR1, ESR2, GPER1 SMN1; SMN2 4806/4885NPC1 954/4885RAB9A 2665/4885
US-20020111374-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 SMN1; SMN2 4806/4885NPC1 954/4885RAB9A 2665/4885

“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.