SCHEMBL4912409

SCHEMBL4912409

COc1ccc(NC(=O)Nc2ccc(N(CCCl)CCCl)cc2)cc1Nc1c2ccccc2nc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
POLB P06746 1/20 0.47
IGF1R P08069 2/20 0.47
LY6K Q17RY6 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
KDM1A O60341 2/20 0.46
GLA P06280 2/20 0.46
SLC22A1 O15245 1/20 0.46
ABCC4 O15439 1/20 0.46
NR1I2 O75469 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CHRM1 P11229 1/20 0.46
TOP1 P11387 1/20 0.46
TOP2A P11388 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL4904556 0.94 IGF1R (0.48) KMT2AMEN1POLBIGF1RHTR2C
SCHEMBL4909986 0.92 KDM1A (0.45) KMT2AMEN1IGF1RLY6KHTR2C
SCHEMBL4916201 0.87 KDM1A (0.55) KMT2AMEN1IGF1RKDM1AALDH1A1
SCHEMBL4913007 0.86 KDM1A (0.52) IGF1RKDM1A
SCHEMBL4904595 0.86 KDM1A (0.48) KMT2AMEN1IGF1RKDM1ACYP3A4
SCHEMBL4916171 0.86 KDM1A (0.47) IGF1RKDM1AHSD17B10KDM4EALDH1A1
SCHEMBL4902270 0.85 KDM1A (0.42) KMT2AMEN1KDM1ATP53RAB9A
SCHEMBL4938671 0.85 KMT2A (0.47) KMT2AMEN1POLBIGF1RLY6K
SCHEMBL4910466 0.84 KDM1A (0.49) KMT2APOLBIGF1RKDM1ATOP2A
SCHEMBL4909694 0.84 IDO1 (0.40) POLBTP53KDM4EMAPTSMN1; 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 KMT2A 876/4885MEN1 4701/4885POLB 150/4885

“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.