SCHEMBL4908240

SCHEMBL4908240

O=C(Nc1ccc(N(CCCl)CCCl)cc1)Nc1cc(-c2ccc(F)cc2F)nc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 7/20 0.46
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
S1PR1 P21453 1/20 0.44
OPRD1 P41143 1/20 0.44
HTR2B P41595 3/20 0.43
HTR2C P28335 2/20 0.43
ACP1 P24666 3/20 0.43
HCRTR1 O43613 2/20 0.41
HCRTR2 O43614 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
DRD2 P14416 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
SCHEMBL4915689 0.93 IGF1R (0.48) IGF1RNPC1HTTRAB9ASMN1; SMN2
SCHEMBL4906245 0.92 MAPT (0.42) IGF1RNPC1HTTRAB9ASMN1; SMN2
SCHEMBL4915715 0.92 IGF1R (0.48) IGF1RNPC1S1PR1OPRD1HTR2B
SCHEMBL4912812 0.88 KMT2A (0.49) IGF1RS1PR1OPRD1HTR2BHTR2C
SCHEMBL4910112 0.86 ABCG2 (0.47) IGF1RNPC1S1PR1OPRD1HTR2B
SCHEMBL4912295 0.86 IGF1R (0.48) IGF1RNPC1RAB9AS1PR1OPRD1
SCHEMBL4910305 0.86 IGF1R (0.48) IGF1RNPC1S1PR1OPRD1HTR2B
SCHEMBL4910558 0.85 MAPT (0.44) IGF1RNPC1RAB9AS1PR1OPRD1
SCHEMBL4906371 0.85 IGF1R (0.52) IGF1RNPC1HTTSMN1; SMN2S1PR1
SCHEMBL4914944 0.85 IGF1R (0.53) IGF1RS1PR1OPRD1HTR2BHTR2C

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 IGF1R 3991/4885NPC1 3627/4885HTT 515/4885

“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.