SCHEMBL4965989

SCHEMBL4965989

O=C1c2ncc3c(c(COCc4ccccc4F)cn3Cc3ccc(F)cc3)c2CCN1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ LMNA P02545 4/20 0.36
▸ L3MBTL1 Q9Y468 3/20 0.36
▸ NCOA3 Q9Y6Q9 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ HTT P42858 3/20 0.36
▸ FFAR1 O14842 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ SCN3A Q9NY46 2/20 0.33

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
Hydrochloric Acid SCHEMBL5420984 0.99 SMN1; SMN2 (0.35) SMN1; SMN2LMNAL3MBTL1NCOA3ALDH1A1
SCHEMBL4962828 0.90 LMNA (0.34) SMN1; SMN2LMNAL3MBTL1NCOA3ALDH1A1
SCHEMBL4964610 0.90 SMN1; SMN2 (0.41) SMN1; SMN2LMNAL3MBTL1NCOA3ALDH1A1
SCHEMBL4968210 0.89 LMNA (0.35) SMN1; SMN2LMNAL3MBTL1NCOA3ALDH1A1
SCHEMBL4963408 0.88 PPARD (0.37) SMN1; SMN2LMNAL3MBTL1NCOA3ALDH1A1
SCHEMBL4966779 0.87 PKM (0.37) SMN1; SMN2LMNAL3MBTL1NCOA3ALDH1A1
SCHEMBL4963313 0.87 PKM (0.34) SMN1; SMN2LMNAL3MBTL1NCOA3ALDH1A1
SCHEMBL4962798 0.87 PKM (0.34) SMN1; SMN2LMNAL3MBTL1NCOA3ALDH1A1
SCHEMBL4962397 0.86 PKM (0.35) SMN1; SMN2LMNAL3MBTL1NCOA3ALDH1A1
SCHEMBL4962937 0.86 PKM (0.35) SMN1; SMN2LMNAL3MBTL1NCOA3ALDH1A1

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 SMN1; SMN2 4080/4885LMNA 3259/4885L3MBTL1 1389/4885

“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.

Send feedback