SCHEMBL4938634

SCHEMBL4938634

Cc1cc(NC(=O)Nc2ccc(N(CCCl)CCCl)cc2)c2ccc(F)cc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
HCRTR1 O43613 2/20 0.53
HCRTR2 O43614 2/20 0.53
HTR2B P41595 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
DRD2 P14416 1/20 0.53
DRD1 P21728 1/20 0.53
MAPK1 P28482 1/20 0.53
CYP2C19 P33261 1/20 0.53
HSD17B10 Q99714 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
IGF1R P08069 3/20 0.48
RAB9A P51151 3/20 0.44

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
SCHEMBL4910169 0.93 HCRTR1 (0.55) MAPTHCRTR1HCRTR2HTR2BMEN1
SCHEMBL4902799 0.87 IGF1R (0.64) MAPTHCRTR1HCRTR2HTR2BMEN1
SCHEMBL4910373 0.87 IGF1R (0.61) MAPTHCRTR1HCRTR2HTR2BMEN1
SCHEMBL4912175 0.86 IGF1R (0.48) MAPTHCRTR1HCRTR2HTR2BMEN1
SCHEMBL17277025 0.84 IGF1R (0.60) MAPTHCRTR1HCRTR2HTR2BMEN1
SCHEMBL15097277 0.83 MAPT (0.53) MAPTHCRTR1HCRTR2HTR2BMEN1
SCHEMBL4936012 0.81 BRAF (0.51) MAPTHCRTR1HCRTR2HTR2BMEN1
SCHEMBL4913217 0.81 IGF1R (0.61) MEN1KMT2AIGF1RTP53
SCHEMBL4902011 0.78 IGF1R (0.53) MAPTHTR2BMEN1KMT2AKDM4E
SCHEMBL4940288 0.78 HDAC3 (0.36) MAPTHCRTR1HCRTR2HTR2BMEN1

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 MAPT 3066/4885HCRTR1 4364/4885HCRTR2 4371/4885

“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.