SCHEMBL3571311

SCHEMBL3571311

CCOc1cccc(-c2c(F)cccc2Br)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.49
▸ BRD2 P25440 1/20 0.49
▸ CREBBP Q92793 1/20 0.49
▸ PTGS2 P35354 1/20 0.47
▸ RXRA P19793 1/20 0.44
▸ RXRB P28702 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ S1PR1 P21453 3/20 0.43
▸ NR3C1 P04150 1/20 0.43
▸ NOTUM Q6P988 1/20 0.43
▸ FFAR1 O14842 1/20 0.41
▸ PPARD Q03181 1/20 0.41
▸ FGFR1 P11362 1/20 0.41
▸ FGFR2 P21802 1/20 0.41

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
SCHEMBL2847105 0.83 DYRK1A (0.45) GAAMAPTTDP1TP53CYP3A4
SCHEMBL2846955 0.81 RXRA (0.47) BRD4BRD2CREBBPPTGS2RXRA
SCHEMBL3560562 0.77 DHODH (0.40) DHODH
SCHEMBL2842712 0.76 BCL2 (0.41) PTGS2TP53NOTUMFGFR1KAT6A
SCHEMBL9260410 0.76 RXRA (0.66) BRD4BRD2CREBBPRXRARXRB
SCHEMBL29426410 0.76 RXRA (0.66) BRD4BRD2CREBBPRXRARXRB
SCHEMBL2845729 0.74 CYP1A1 (0.48) KDM4EMAPTTDP1TP53CYP3A4
SCHEMBL29012837 0.74 RXRA (0.64) BRD4BRD2CREBBPRXRARXRB
SCHEMBL4756684 0.74 CTSS (0.39) FFAR1KAT6A
SCHEMBL1865690 0.74 CSNK1E (0.43) TP53NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007117482-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 — — WO claimed
US-7858624-B2 Piperidine and morpholine renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2010-12-28 — — US disclosed
US-20090275581-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2009-11-05 — — US disclosed
US-20090264428-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2009-10-22 — — US disclosed
US-20090264432-A1 Piperidine and Morpholine Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2009-10-22 — — US disclosed
EP-2010488-A2 RENIN INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2009-01-07 — — EP disclosed
WO-2007117559-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 — — WO disclosed
WO-2007117560-A2 PIPERIDINE AND MORPHOLINE RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 — — WO disclosed
WO-2007117482-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 — — 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 (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-20090275581-A1 RENIN INHIBITORS REN, ACE, SERPINB1 BRD4 2118/4885BRD2 4642/4885CREBBP 1912/4885
US-20090264432-A1 Piperidine and Morpholine Renin Inhibitors REN, ACE, PREP BRD4 521/4885BRD2 2190/4885CREBBP 722/4885
US-20090264428-A1 Renin Inhibitors REN, ACE, SERPINB1 BRD4 2332/4885BRD2 4617/4885CREBBP 2426/4885

“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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