SCHEMBL3608032

SCHEMBL3608032

O=C(Nc1cnn(Cc2ccc(Cl)cc2Cl)c1)c1ccc2c(c1)CCNC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
KDM4E B2RXH2 2/20 0.55
MAPK1 P28482 1/20 0.55
MAPT P10636 6/20 0.54
LMNA P02545 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
ALDH1A1 P00352 2/20 0.54
HTT P42858 1/20 0.54
NPSR1 Q6W5P4 1/20 0.53
POLB P06746 1/20 0.52
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
HPGD P15428 2/20 0.50
USP2 O75604 1/20 0.50
CYP3A4 P08684 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PTGER1 P34995 2/20 0.47
TP53 P04637 3/20 0.47

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
SCHEMBL3602632 0.90 SCD5 (0.51) MEN1KMT2AKDM4EMAPK1MAPT
SCHEMBL3602522 0.89 SMN1; SMN2 (0.60) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL3611305 0.86 NAMPT (0.63) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL3612430 0.85 PTGER1 (0.47) MEN1KMT2AKDM4EMAPK1MAPT
SCHEMBL3604806 0.85 PTGER1 (0.49) MEN1KMT2AKDM4EMAPK1MAPT
SCHEMBL3613929 0.85 SMN1; SMN2 (0.59) MEN1KMT2AMAPK1MAPTLMNA
Hydrochloric Acid SCHEMBL3600659 0.84 PTGER1 (0.48) MEN1KMT2AKDM4EMAPK1MAPT
Hydrochloric Acid SCHEMBL3607482 0.84 PTGER1 (0.49) MEN1KMT2AKDM4EMAPK1MAPT
SCHEMBL13504884 0.84 NAMPT (0.60) ALDH1A1NAMPT
Hydrochloric Acid SCHEMBL3596683 0.84 SMN1; SMN2 (0.58) MEN1KMT2AMAPK1MAPTLMNA

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 MEN1 3499/4885KMT2A 3500/4885KDM4E 1083/4885

“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.