SCHEMBL4966822

SCHEMBL4966822

O=C1c2ncc3c(c(COCCCc4ccccn4)cn3Cc3ccc(F)cc3)c2CCN1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ LMNA P02545 3/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ NCOA3 Q9Y6Q9 1/20 0.32
▸ ALDH1A1 P00352 4/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ HTR2A P28223 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ HTR2B P41595 1/20 0.31
▸ EGFR P00533 1/20 0.31
▸ IGF1R P08069 1/20 0.31
▸ FLT4 P35916 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ HTR7 P34969 1/20 0.31

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
SCHEMBL4963381 0.95 HTT (0.34) HTTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL4962828 0.92 LMNA (0.34) HTTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL4962937 0.87 PKM (0.35) HTTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL4964610 0.87 SMN1; SMN2 (0.41) HTTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL4962946 0.86 PKM (0.36) HTTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL4964902 0.85 PKM (0.34) HTTMEN1KMT2ASMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL4964708 0.85 PKM (0.36) HTTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL4963408 0.85 PPARD (0.37) HTTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL4965989 0.85 SMN1; SMN2 (0.36) HTTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL5424766 0.85 PKM (0.34) HTTMEN1KMT2ASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1934220-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME Pfizer Products Incorporated (US) 2008-06-25 — — EP disclosed
US-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. 2007-05-03 — — US disclosed
US-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. 2007-05-03 — — US disclosed
US-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. 2007-05-03 — — US disclosed
WO-2007042883-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER PRODUCTS INC. (US) 2007-04-19 — — WO disclosed
WO-2007042883-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER PRODUCTS INC. (US) 2007-04-19 — — 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 (1 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-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME IMPDH1, INTS9, TYMP HTT 4142/4885MEN1 4787/4885KMT2A 1367/4885

“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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