Sugi Predict

Sugi Predict / Compounds / SCHEMBL3584295

SCHEMBL3584295

SCHEMBL3584295

Cc1cc(C(F)(F)F)c(-c2cc(-c3cc(O)c(O)c([N+](=O)[O-])c3)co2)c(-c2ccccc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHBP P24387 1/20 0.42
▸ CRHR2 Q13324 1/20 0.42
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ ABCG2 Q9UNQ0 2/20 0.35
▸ ABCC1 P33527 2/20 0.35
▸ DUSP3 P51452 1/20 0.35
▸ COMT P21964 1/20 0.34
▸ KIF11 P52732 4/20 0.33
▸ MAOA P21397 2/20 0.33
▸ TTR P02766 2/20 0.33
▸ MAOB P27338 1/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ MAPT P10636 3/20 0.33
▸ RAB9A P51151 3/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ PAX8 Q06710 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ TP53 P04637 2/20 0.32

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
SCHEMBL3579401 0.88 CRHBP (0.40) CRHBPCRHR2MEN1KMT2AABCG2
SCHEMBL3589859 0.86 CRHBP (0.40) CRHBPCRHR2MEN1KMT2AABCG2
SCHEMBL3589326 0.84 CRHBP (0.41) CRHBPCRHR2MEN1KMT2AABCG2
SCHEMBL1447119 0.83 CRHBP (0.41) CRHBPCRHR2MEN1KMT2AABCC1
SCHEMBL3584383 0.83 COMT (0.50) CRHBPCRHR2ABCG2ABCC1COMT
SCHEMBL3594046 0.83 COMT (0.46) CRHBPCRHR2COMTMAPTRAB9A
SCHEMBL3577219 0.81 CRHBP (0.40) CRHBPCRHR2MEN1KMT2AABCG2
SCHEMBL3588597 0.81 CRHBP (0.40) CRHBPCRHR2MEN1KMT2AABCG2
SCHEMBL1447164 0.81 CRHBP (0.40) CRHBPCRHR2MEN1KMT2AABCG2
SCHEMBL3589572 0.81 MEN1 (0.42) CRHBPCRHR2MEN1KMT2AABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9446012-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-09-20 — — US disclosed
US-20140024682-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & CA, S.A. (PT) 2014-01-23 — — US disclosed
US-8536203-B2 Pharmaceutical compounds BIAL-PORTELA & CA, S.A. (PT) 2013-09-17 — — US disclosed
EP-2617713-A1 New Pharmaceutical Compounds BIAL - Portela & Ca., S.A. (PT) 2013-07-24 — — EP disclosed
US-20100168113-A1 Pharmaceutical Compounds BIAL-PORTELA & CA., S.A. (PT) 2010-07-01 — — US disclosed
EP-2027091-A1 NEW PHARMACEUTICAL COMPOUNDS BIAL - Portela & Ca., S.A. (PT) 2009-02-25 — — EP disclosed
CN-101248064-A Nitrocatechol derivatives as COMT inhibitors PORTELA & CA SA (PT) 2008-08-20 — — CN disclosed
WO-2007117165-A1 NEW PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & CA, S.A. (PT) 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 (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-20100168113-A1 Pharmaceutical Compounds PMP22, CNR2, OPRL1 CRHBP 2476/4885CRHR2 1136/4885MEN1 3595/4885
US-20140024682-A1 PHARMACEUTICAL COMPOUNDS PMP22, CNR2, OPRL1 CRHBP 2476/4885CRHR2 1136/4885MEN1 3595/4885

“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.