SCHEMBL3497511

SCHEMBL3497511

O=c1c2ncc3c(c(S(=O)(=O)NCc4ccc(F)cc4)cn3Cc3ccc(F)cc3)c2ccn1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.41
▸ THRB P10828 1/20 0.40
▸ BAZ2B Q9UIF8 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ NSD2 O96028 2/20 0.37
▸ LMNA P02545 4/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.35
▸ NR3C2 P08235 1/20 0.35
▸ PLK1 P53350 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CXCR4 P61073 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
SCHEMBL3496896 0.91 SMN1; SMN2 (0.34) KMT2ATHRBALDH1A1KDM4EHPGD
SCHEMBL3496144 0.85 RXFP1 (0.37) KMT2AALDH1A1KDM4EHPGDLMNA
SCHEMBL3496518 0.83 MGAM (0.47) ALDH1A1MAPT
SCHEMBL4964868 0.81 CYP19A1 (0.39) KMT2ATHRBALDH1A1KDM4ELMNA
SCHEMBL3496507 0.80 TDO2 (0.35) ALDH1A1KDM4EHPGDLMNAGAA
SCHEMBL14302885 0.80 ALDH1A1 (0.37) KMT2ATHRBALDH1A1KDM4EMAPT
SCHEMBL4965568 0.78 POLB (0.39) KMT2AALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL3496741 0.78 RORC (0.37) ALDH1A1LMNAGAA
SCHEMBL3495560 0.78 ALDH1A1 (0.43) KMT2ATHRBALDH1A1KDM4EHPGD
SCHEMBL3496366 0.77 HDAC1 (0.38) KMT2ATHRBALDH1A1KDM4ELMNA

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
US-20100137283-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2010-06-03 — — US claimed
EP-1751157-B1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER (US) 2007-10-03 — — EP claimed
EP-1751157-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. (US) 2007-02-14 — — EP claimed
US-20050277661-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC. 2005-12-15 — — US claimed
WO-2005103051-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. (US) 2005-11-03 — — WO claimed
US-20100137283-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2010-06-03 — — US disclosed
US-20100137283-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2010-06-03 — — US disclosed
US-20100137283-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2010-06-03 — — US disclosed
US-7692014-B2 Inhibitors of the HIV integrase enzyme PFIZER, INC. (US) 2010-04-06 — — US disclosed
US-7692014-B2 Inhibitors of the HIV integrase enzyme PFIZER, INC. (US) 2010-04-06 — — US disclosed
US-7692014-B2 Inhibitors of the HIV integrase enzyme PFIZER, INC. (US) 2010-04-06 — — US disclosed
EP-1873155-A1 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-01-02 — — EP disclosed
EP-1751157-B1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER (US) 2007-10-03 — — EP disclosed
EP-1751157-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. (US) 2007-02-14 — — EP disclosed
US-20050277661-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC. 2005-12-15 — — US disclosed
WO-2005103051-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. (US) 2005-11-03 — — 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-20050277661-A1 Inhibitors of the HIV integrase enzyme IMPDH1, INTS9, TYMP KMT2A 1367/4885THRB 3656/4885BAZ2B 1333/4885
US-20100137283-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME IMPDH1, INTS9, TYMP KMT2A 1367/4885THRB 3656/4885BAZ2B 1333/4885

“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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