SCHEMBL4912443

SCHEMBL4912443

Cc1ccc(-c2cc(-c3cc(NC(=O)NN)ccc3N(CCCl)CCCl)c3ccccc3n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.46
IDO1 P14902 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.43
NPY1R P25929 1/20 0.43
RECQL P46063 1/20 0.43
NPY2R P49146 1/20 0.43
MOK Q9UQ07 2/20 0.42
PDE10A Q9Y233 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 3/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 3/20 0.41
TACR3 P29371 1/20 0.41
POLB P06746 1/20 0.41
TRPV1 Q8NER1 1/20 0.40

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
SCHEMBL4909862 0.94 MAPT (0.42) CYP3A4MAPTMOKMEN1KMT2A
SCHEMBL4913215 0.92 CNR1 (0.43) MAPTMOKMEN1KMT2AKDM4E
SCHEMBL4913421 0.91 MEN1 (0.44) CYP3A4SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL4911275 0.91 KMT2A (0.44) MAPTMOKPDE10AMEN1KMT2A
SCHEMBL4910628 0.91 KMT2A (0.41) SMN1; SMN2MAPTRECQLMOKPDE10A
SCHEMBL4914093 0.91 MEN1 (0.48) CYP3A4MAPTMEN1KMT2AKDM4E
SCHEMBL4913307 0.89 MAPT (0.49) SMN1; SMN2MAPTMOKMEN1KMT2A
SCHEMBL4910685 0.89 MAPT (0.40) MAPTMOKMEN1KMT2AHTT
SCHEMBL4907199 0.89 TACR3 (0.41) CYP3A4IDO1SMN1; SMN2MAPTMEN1
SCHEMBL4905045 0.88 TOP1 (0.38) MAPTMOKPDE10AMEN1KMT2A

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-8222297-B2 e.g. 1-[3-(acridin-9-ylamino)-5-hydroxymethylphenyl]-3-{4-[bis(2-chloroethyl)amino]phenyl}urea; anticarcinogenic agent; improved chemical stability and efficacy; brain tumor, breast cancer, colon cancer, leukemia, and neuroblastoma ACADEMIA SINICA (TW) 2012-07-17 US disclosed
US-20080171765-A1 Aniline or phenol mustards linked to DNA-affinic molecules or water-soluble aromatic rings and their use as cancer therapeutic agents ACADEMIA SINICA (TW) 2008-07-17 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-20080171765-A1 Aniline or phenol mustards linked to DNA-affinic molecules or water-soluble aromatic rings and their use as cancer therapeutic agents WEE1, PCNA, ATIC CYP3A4 1084/4885IDO1 2733/4885SMN1; SMN2 4099/4885

“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.