SCHEMBL509575

SCHEMBL509575

N#CCOc1cccc(OCC#N)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ALDH2 P05091 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TP53 P04637 2/20 0.41
CYP3A4 P08684 2/20 0.41
TSHR P16473 1/20 0.41
HIF1A Q16665 1/20 0.41
GRM5 P41594 3/20 0.40
CTSA P10619 1/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 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
SCHEMBL8195567 0.90 MAOB (0.53) ALDH1A1TSHRGRM5MAOBPFKFB3
SCHEMBL30085021 0.86 CYP3A4 (0.58) FFAR1SMN1; SMN2ALDH1A1KDM4EHSD17B10
SCHEMBL6819669 0.86 FFAR1 (0.43) FFAR1SMN1; SMN2ALDH1A1KDM4EHSD17B10
SCHEMBL30223759 0.86 MAOB (0.55) FFAR1ALDH1A1KDM4EL3MBTL1HTT
SCHEMBL3256254 0.86 MAOB (0.44) FFAR1MAOB
SCHEMBL3054840 0.86 CYP3A4 (0.58) FFAR1SMN1; SMN2ALDH1A1KDM4EHSD17B10
SCHEMBL8195129 0.86 ACHE (0.50) SMN1; SMN2ALDH1A1KDM4EHSD17B10ALDH2
SCHEMBL7398355 0.86 GRM5 (0.50) FFAR1SMN1; SMN2KDM4EGRM5HTT
SCHEMBL3484237 0.86 MAOB (0.55) FFAR1ALDH1A1KDM4EL3MBTL1HTT
SCHEMBL11259709 0.86 FFAR1 (0.52) FFAR1SMN1; SMN2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1762567-B1 Pyrazole derivatives for treating HIV PFIZER LTD (GB) 2012-05-02 EP disclosed
US-20120029192-A1 Pyrazole Derivatives PFIZER INC 2012-02-02 US disclosed
US-8063044-B2 Pyrazole derivatives PFIZER INC. (US) 2011-11-22 US disclosed
US-20090215712-A1 PYRAZOLE DERIVATIVES PFIZER INC 2009-08-27 US disclosed
US-7435728-B2 Pyrazole derivatives PFIZER INC (US) 2008-10-14 US disclosed
EP-1556359-B1 PYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS FOR HIV MEDIATED DISEASES PFIZER LTD (GB) 2008-06-18 EP disclosed
US-7230025-B2 Pyrazole derivatives PFIZER, INC. (US) 2007-06-12 US disclosed
EP-1377556-B1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LTD (GB) 2007-04-04 EP disclosed
EP-1762567-A1 Pyrazole derivatives for treating HIV Pfizer Limited (GB) 2007-03-14 EP disclosed
US-7109228-B2 Pyrazole derivatives AGOURON PHARMACEUTICALS, INC. (US) 2006-09-19 US disclosed
US-20060020012-A1 Pyrazole derivatives PFIZER INC 2006-01-26 US disclosed
US-20050054707-A1 Pyrazole derivatives PFIZER INC. 2005-03-10 US disclosed
US-20040132793-A1 Pyrazole derivatives PFIZER INC. 2004-07-08 US disclosed
US-20040133002-A1 Pyrazole derivatives PFIZER, INC. 2004-07-08 US disclosed
US-20040110816-A1 Pyrazole derivatives PFIZER, INC. 2004-06-10 US disclosed
US-20030100554-A1 Pyrazole derivatives JONES LYN HOWARD (GB) 2003-05-29 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 (8 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-20090215712-A1 PYRAZOLE DERIVATIVES RRM2B, REV1, RRM2 FFAR1 3320/4885SMN1; SMN2 3225/4885ALDH1A1 1080/4885
US-20040132793-A1 Pyrazole derivatives POLA1, REV1, POLR2E FFAR1 2785/4885SMN1; SMN2 3565/4885ALDH1A1 298/4885
US-20050054707-A1 Pyrazole derivatives RTF1, PDCD11, RRM2B FFAR1 3837/4885SMN1; SMN2 3521/4885ALDH1A1 976/4885
US-20040133002-A1 Pyrazole derivatives REV1, RRS1, CYP2F1 FFAR1 3341/4885SMN1; SMN2 3394/4885ALDH1A1 895/4885
US-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 FFAR1 3915/4885SMN1; SMN2 3577/4885ALDH1A1 997/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD FFAR1 4177/4885SMN1; SMN2 3432/4885ALDH1A1 886/4885
US-20040110816-A1 Pyrazole derivatives REV1, POLR2E, SARS1 FFAR1 2765/4885SMN1; SMN2 2813/4885ALDH1A1 467/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 FFAR1 3280/4885SMN1; SMN2 2943/4885ALDH1A1 385/4885

“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.