SCHEMBL4906398

SCHEMBL4906398

Cc1cc(NN(C(=O)O)c2ccc(N(CCCl)CCCl)cc2)c2ccccc2n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.47
HTT P42858 2/20 0.46
GALR3 O60755 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NCF1 P14598 2/20 0.46
EGFR P00533 2/20 0.44
ERBB2 P04626 2/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 2/20 0.43
NPC1 O15118 2/20 0.43
GUSB P08236 1/20 0.43
IGF1R P08069 2/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 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
SCHEMBL4902006 0.92 OPRK1 (0.46) OPRK1HTTGALR3RAB9ASMN1; SMN2
SCHEMBL4902799 0.83 IGF1R (0.64) OPRK1HTTGALR3RAB9ASMN1; SMN2
SCHEMBL4902011 0.80 IGF1R (0.53) OPRK1HTTGALR3RAB9ASMN1; SMN2
SCHEMBL17277025 0.79 IGF1R (0.60) OPRK1HTTGALR3RAB9ASMN1; SMN2
SCHEMBL4906410 0.79 L3MBTL1 (0.42) OPRK1HTTGALR3RAB9ASMN1; SMN2
SCHEMBL4907565 0.77 NQO2 (0.49) SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL4939442 0.72 BRAF (0.62) IGF1RL3MBTL1
SCHEMBL15097277 0.70 MAPT (0.53) RAB9AMEN1KMT2ACYP2C19MAPT
SCHEMBL4938634 0.70 MAPT (0.53) HTTRAB9AMEN1KMT2ACYP2C19
SCHEMBL4872495 0.70 HTT (0.73) OPRK1HTTGALR3RAB9ASMN1; SMN2

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 OPRK1 2887/4885HTT 515/4885GALR3 4149/4885

“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.