SCHEMBL5651583

SCHEMBL5651583

O=C(NCCCN1CCOCC1)c1ccc(-c2nc3ncccc3[nH]2)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
NAMPT P43490 2/20 0.49
ALDH1A1 P00352 3/20 0.48
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 1/20 0.47
KDM4E B2RXH2 2/20 0.47
TSHR P16473 1/20 0.47
GAA P10253 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
CDK1 P06493 1/20 0.46
CCNB1 P14635 1/20 0.46
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46

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
SCHEMBL5647370 0.90 POLB (0.51) SMN1; SMN2NAMPTALDH1A1CYP2D6CYP2C9
SCHEMBL5653271 0.88 CYP2D6 (0.61) SMN1; SMN2NAMPTALDH1A1CYP2D6CYP2C9
SCHEMBL5649082 0.87 CYP2D6 (0.53) SMN1; SMN2NAMPTALDH1A1CYP2D6CYP2C9
SCHEMBL5648391 0.86 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1CYP2D6CYP2C9KDM4E
SCHEMBL5654024 0.84 CYP2D6 (0.53) SMN1; SMN2ALDH1A1CYP2D6CYP2C9KDM4E
SCHEMBL5652745 0.82 MET (0.52) SMN1; SMN2ALDH1A1CYP2D6CYP2C9TSHR
SCHEMBL5653202 0.82 MET (0.51) SMN1; SMN2ALDH1A1CYP2D6CYP2C9TSHR
SCHEMBL5653211 0.82 MET (0.51) SMN1; SMN2ALDH1A1CYP2D6CYP2C9TSHR
SCHEMBL5650223 0.80 CD274 (0.50) SMN1; SMN2NAMPTALDH1A1CYP2D6CYP2C9
SCHEMBL5650213 0.80 FLT3 (0.53) SMN1; SMN2NAMPTALDH1A1CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7220769-B2 Azolylbenzamides and analogues and their use for treating osteoporosis NIKEM RESEARCH S.R.L. (IT) 2007-05-22 US disclosed
US-20050038095-A1 Azolylbenzamides and analogues and their use for treating osteoporosis 3-V BIOSCIENCES, INC. 2005-02-17 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 (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-20050038095-A1 Azolylbenzamides and analogues and their use for treating osteoporosis NR0B2, NR0B1, NCOR1 SMN1; SMN2 1510/4885NAMPT 349/4885ALDH1A1 2893/4885

“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.