SCHEMBL3602522

SCHEMBL3602522

O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1ccc2c(c1)CCNC2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.60
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
MAPT P10636 4/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
SLC2A1 P11166 2/20 0.52
KDM4E B2RXH2 1/20 0.51
NAMPT P43490 3/20 0.51
HTT P42858 2/20 0.50
LMNA P02545 3/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
WNT1 P04628 1/20 0.48
GSK3B P49841 1/20 0.48
DYRK1A Q13627 1/20 0.48
PLA2G1B P04054 1/20 0.48
CYP3A4 P08684 1/20 0.48

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
SCHEMBL3613929 0.92 SMN1; SMN2 (0.59) SMN1; SMN2MEN1KMT2AMAPTCYP1A2
SCHEMBL3608431 0.91 NAMPT (0.56) SMN1; SMN2MEN1KMT2AMAPTCYP1A2
SCHEMBL3606398 0.91 SMN1; SMN2 (0.52) SMN1; SMN2MEN1KMT2AMAPTCYP1A2
SCHEMBL13504884 0.91 NAMPT (0.60) NAMPTRPS6KA2
SCHEMBL13504909 0.91 SMN1; SMN2 (0.52) SMN1; SMN2MEN1KMT2AMAPTCYP1A2
Hydrochloric Acid SCHEMBL3596683 0.91 SMN1; SMN2 (0.58) SMN1; SMN2MEN1KMT2AMAPTCYP1A2
SCHEMBL3611305 0.91 NAMPT (0.63) SMN1; SMN2MEN1KMT2AMAPTCYP1A2
Hydrochloric Acid SCHEMBL3612494 0.90 NAMPT (0.59) NAMPTRPS6KA2
Hydrochloric Acid SCHEMBL3610939 0.90 SMN1; SMN2 (0.51) SMN1; SMN2MEN1KMT2AMAPTCYP1A2
SCHEMBL3608032 0.89 MEN1 (0.55) SMN1; SMN2MEN1KMT2AMAPTCYP1A2

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-20100041696-A1 Compounds SMITHKLINE BEECHAM CORPORATION 2010-02-18 US claimed
US-20100041696-A1 Compounds SMITHKLINE BEECHAM CORPORATION 2010-02-18 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-20100041696-A1 Compounds CYP11B2, SCD, CYP3A5 SMN1; SMN2 618/4885MEN1 3499/4885KMT2A 3500/4885

“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.