SCHEMBL18328490

SCHEMBL18328490

Cc1cc(NC(=O)COc2cccc(F)c2)ccn1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.63
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
KDM4E B2RXH2 1/20 0.63
MAPT P10636 1/20 0.62
SMN1; SMN2 Q16637 3/20 0.58
AHR P35869 1/20 0.58
NOTUM Q6P988 1/20 0.53
CETP P11597 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
HPGD P15428 2/20 0.51
GALR3 O60755 1/20 0.51
HSP90AA1 P07900 1/20 0.51
FFAR1 O14842 1/20 0.51
KCNH2 Q12809 1/20 0.51
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50

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
SCHEMBL18328467 0.88 MAPK1 (0.69) MAPK1MEN1KMT2AMAPTNOTUM
SCHEMBL18328462 0.86 MEN1 (0.57) MAPK1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL18328492 0.86 MAPK1 (0.67) MAPK1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL18328470 0.86 HPGD (0.61) MEN1KMT2AMAPTSMN1; SMN2AHR
SCHEMBL18328460 0.85 NOTUM (0.65) MAPK1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL18328450 0.85 MEN1 (0.56) MAPK1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL26343122 0.85 MAPT (0.65) MAPK1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL18328495 0.85 CNR1 (0.53) MAPK1MEN1KMT2AKDM4EMAPT
SCHEMBL18328468 0.85 KMT2A (0.61) MAPK1MEN1KMT2AKDM4EMAPT
SCHEMBL18328475 0.82 MEN1 (0.55) MAPK1MEN1KMT2AKDM4EMAPT

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-9751851-B2 Molecules and compositions that inhibit gram negative bacteria and their uses THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2017-09-05 US disclosed
US-20160368892-A1 MOLECULES AND COMPOSITIONS THAT INHIBIT GRAM NEGATIVE BACTERIA AND THEIR USES THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2016-12-22 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-20160368892-A1 MOLECULES AND COMPOSITIONS THAT INHIBIT GRAM NEGATIVE BACTERIA AND THEIR USES BLVRB, PGLS, GRHPR MAPK1 1169/4885MEN1 4766/4885KMT2A 4247/4885

“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.