SCHEMBL10251503

SCHEMBL10251503

[C-]#[N+]c1cc(O)cc(C#N)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 2/20 0.39
▸ ALB P02768 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CA12 O43570 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA3 P07451 1/20 0.38
▸ CA6 P23280 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ MMP3 P08254 1/20 0.34

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
SCHEMBL12587111 0.84 TTR (0.36) TTRALBMEN1KMT2A
SCHEMBL9264989 0.77 CA12 (0.52) TTRALBMEN1KMT2ACA12
SCHEMBL509092 0.77 CA12 (0.52) TTRALBMEN1KMT2ACA12
SCHEMBL214163 0.77 CA12 (0.52) TTRALBMEN1KMT2ACA12
SCHEMBL12798241 0.75 GRM5 (0.35) —
SCHEMBL12399933 0.75 ALDH1A1 (0.38) TTRALBMEN1KMT2A
SCHEMBL12246754 0.75 TTR (0.39) TTRALBMEN1KMT2A
SCHEMBL13119754 0.75 KCNH2 (0.36) —
SCHEMBL12399930 0.75 GRM5 (0.35) TTRALBMEN1KMT2A
SCHEMBL12246755 0.75 ENPP2 (0.47) TTRALBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329755-B2 Methods for treating retroviral infections ROCHE PALO ALTO LLC (US) 2012-12-11 — — US disclosed
US-20120029192-A1 Pyrazole Derivatives PFIZER INC 2012-02-02 — — US disclosed
US-8063064-B2 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2011-11-22 — — US disclosed
US-8063028-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2011-11-22 — — US disclosed
US-8063044-B2 Pyrazole derivatives PFIZER INC. (US) 2011-11-22 — — US disclosed
US-20110059975-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS KENNEDY-SMITH JOSHUA 2011-03-10 — — US disclosed
US-7713974-B2 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2010-05-11 — — US disclosed
US-20100041648-A1 METHODS FOR TREATING RETROVIRAL INFECTIONS DUNN JAMES PATRICK 2010-02-18 — — US disclosed
US-7625949-B2 Methods for treating retroviral infections ROCHE PALO ALTO LLC (US) 2009-12-01 — — US disclosed
US-20090215712-A1 PYRAZOLE DERIVATIVES PFIZER INC 2009-08-27 — — US disclosed
US-20090170856-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ROCHE PALO ALTO LLC 2009-07-02 — — US disclosed
US-7435728-B2 Pyrazole derivatives PFIZER INC (US) 2008-10-14 — — US disclosed
US-20080045511-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2008-02-21 — — US disclosed
US-7220772-B2 Pyrazole derivatives PFIZER, INC. (US) 2007-05-22 — — US disclosed
US-7166738-B2 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2007-01-23 — — 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 (6 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 TTR 1445/4885ALB 4465/4885MEN1 4693/4885
US-20100041648-A1 METHODS FOR TREATING RETROVIRAL INFECTIONS CCR5, CXCR4, CCR1 TTR 3493/4885ALB 3523/4885MEN1 2696/4885
US-20080045511-A1 Non-nucleoside reverse transcriptase inhibitors ADORA2B, ADORA1, ADORA3 TTR 4703/4885ALB 4850/4885MEN1 4644/4885
US-20110059975-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS RPIA, ADORA2B, NQO2 TTR 4745/4885ALB 4857/4885MEN1 4783/4885
US-20090170856-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS REV1, XDH, RNASEH1 TTR 4459/4885ALB 4395/4885MEN1 3018/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD TTR 1205/4885ALB 3071/4885MEN1 4837/4885

“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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