SCHEMBL5870396

SCHEMBL5870396

CCCc1[nH]c(I)nc1C(=O)NCc1ccc(C)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.46
MAPT P10636 3/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
HPGD P15428 2/20 0.43
TP53 P04637 2/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL5870140 0.79 KMT2A (0.54) KMT2AKDM4EMAPTHPGDTP53
SCHEMBL5870615 0.76 PLK1 (0.37)
SCHEMBL11537614 0.68 ALDH1A1 (0.50) KMT2AKDM4EMAPTHPGDPOLB
SCHEMBL951202 0.67 FLT3 (0.67) KMT2AKDM4ESMN1; SMN2MEN1ALDH1A1
SCHEMBL28053365 0.66 HPGD (0.68) KMT2AKDM4EMAPTHPGDTP53
SCHEMBL13932522 0.66 ALDH1A1 (0.78) KMT2AKDM4EMAPTHPGDPOLB
SCHEMBL11379479 0.65 KDM4E (0.48) KMT2AKDM4EMAPTHPGDTP53
SCHEMBL11015201 0.65 KMT2A (0.53) KMT2AKDM4EMAPTHPGDPOLB
SCHEMBL12630170 0.64 KDM4E (0.57) KMT2AKDM4EHPGDTP53POLB
SCHEMBL7044700 0.63 SMN1; SMN2 (0.52) KMT2AKDM4EHPGDTP53POLB

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-7078528-B2 Biimidazole diamide anion binding agents EAST CAROLINA UNIVERSITY (US) 2006-07-18 US disclosed
US-20050004370-A1 Biimidazole diamide anion binding agents EAST CAROLINA UNIVERSITY 2005-01-06 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-20050004370-A1 Biimidazole diamide anion binding agents ABCG2, BRI3BP, SLCO1B3 KMT2A 4248/4885KDM4E 4206/4885MAPT 2493/4885

“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.