SCHEMBL12880486

SCHEMBL12880486

N#Cc1ccc(CNCc2ccc(F)cc2F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.46
VNN1 O95497 2/20 0.43
CHEK1 O14757 1/20 0.43
CACNA1G O43497 1/20 0.42
CACNA1B Q00975 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
MAPK14 Q16539 1/20 0.42
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
LMNA P02545 1/20 0.41
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
KCNH2 Q12809 2/20 0.40
OXTR P30559 1/20 0.40
AVPR1A P37288 1/20 0.40
DRD2 P14416 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39

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 SCHEMBL1169438 0.98 LOXL2 (0.45) LOXL2VNN1CHEK1CACNA1GCACNA1B
SCHEMBL23015299 0.84 LOXL2 (0.59) LOXL2VNN1CACNA1GCACNA1BMAOA
SCHEMBL1169913 0.81 LOXL2 (0.49) LOXL2MAOAMAOBLMNAHTR2A
SCHEMBL3964758 0.80 LMNA (0.68) LMNAOXTRAVPR1AALDH1A1POLB
SCHEMBL19041065 0.80 LMNA (0.49) LMNAOXTRAVPR1AALDH1A1POLB
SCHEMBL1042337 0.79 ACHE (0.51) LMNAHTR2AHTR2CKDM4EALDH1A1
SCHEMBL23879203 0.78 LOXL2 (0.71) LOXL2CACNA1GCACNA1BMAOAMAOB
SCHEMBL20766940 0.77 MAPK1 (0.55) MAOBLMNAHTR2AKDM4EALDH1A1
SCHEMBL19041058 0.76 HTT (0.51) LMNAHTR2CKDM4EALDH1A1
SCHEMBL25809492 0.72 HTR2A (0.56) CHEK1HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110028509-A1 Sulfonamides MERCK SERONO SA (CH) 2011-02-03 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-20110028509-A1 Sulfonamides CXCR3, CXCR2, CXCR1 LOXL2 3843/4885VNN1 4388/4885CHEK1 1963/4885

“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.