SCHEMBL4292409

SCHEMBL4292409

O=P(O)(O)Oc1ccc(N(CCCl)CCCl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.47
BLM P54132 1/20 0.46
EGFR P00533 5/20 0.44
ERBB2 P04626 5/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HIF1A Q16665 3/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 2/20 0.44
NFKB1 P19838 2/20 0.44
THPO P40225 2/20 0.44
PMP22 Q01453 2/20 0.44
GMNN O75496 1/20 0.44
CYP2D6 P10635 1/20 0.44
GABRA1 P14867 1/20 0.44
TSHR P16473 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
SLCO1B3 Q9NPD5 1/20 0.44
CA1 P00915 1/20 0.43

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
SCHEMBL7709550 0.85 EGFR (0.41) BLMEGFRERBB2ALDH1A1SMN1; SMN2
SCHEMBL20315400 0.81 BLM (0.50) SRCBLMEGFRERBB2SMN1; SMN2
SCHEMBL20107974 0.78 BLM (0.40) SRCBLMALDH1A1SMN1; SMN2HIF1A
SCHEMBL9151493 0.77 LMNA (0.61) EGFRERBB2ALDH1A1SMN1; SMN2HIF1A
SCHEMBL329313 0.76 SRC (0.75) SRCBLMSMN1; SMN2TSHRCA1
SCHEMBL8508241 0.75 EGFR (0.47) EGFRERBB2ALDH1A1SMN1; SMN2HIF1A
SCHEMBL21100916 0.75 THRB (0.41) SRCBLMALDH1A1HIF1ATSHR
SCHEMBL10686398 0.74 EGFR (0.50) EGFRERBB2ALDH1A1SMN1; SMN2HIF1A
SCHEMBL7717389 0.74 ALDH1A1 (0.50) EGFRERBB2ALDH1A1SMN1; SMN2HIF1A
SCHEMBL5384052 0.74 CYP3A4 (0.49) EGFRERBB2ALDH1A1SMN1; SMN2HIF1A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022206962-A1 RECOMBINANT ONCOLYTIC VIRUS AND MEDICAL USE THEREOF 深圳艾欣达伟医药科技有限公司 2022-10-06 WO disclosed
US-8257918-B2 Intelligent nanomedicine integrating diagnosis and therapy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-09-04 US disclosed
US-20100010094-A1 Novel nitrophenyl mustard and nitrophenylaziridine alcohols and their corresponding phosphates and their use as targeted cytotoxic agents AUCKLAND UNISERVICES LIMITED (NZ) 2010-01-14 US disclosed
US-7629332-B2 Nitrophenyl mustard and nitrophenylaziridine alcohols and their corresponding phosphates and their use as targeted cytotoxic agents AUCKLAND UNISERVICES LIMITED (NZ) 2009-12-08 US disclosed
US-20090202507-A1 Intelligent Nanomedicine Integrating Diagnosis And Therapy NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS) (US) 2009-08-13 US disclosed
US-20070032455-A1 Novel nitrophenyl mustard and nitrophenylaziridine alcohols and their corresponding phosphates and their use as targeted cytotoxic agents AUCKLAND UNIVERVICES LIMITED (NZ) 2007-02-08 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 (2 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-20070032455-A1 Novel nitrophenyl mustard and nitrophenylaziridine alcohols and their corresponding phosphates and their use as targeted cytotoxic agents NAPRT, NTPCR, PNP SRC 3548/4885BLM 4792/4885EGFR 2171/4885
US-20100010094-A1 Novel nitrophenyl mustard and nitrophenylaziridine alcohols and their corresponding phosphates and their use as targeted cytotoxic agents NAPRT, NTPCR, QDPR SRC 3512/4885BLM 4766/4885EGFR 2370/4885

“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.