SCHEMBL4909986

SCHEMBL4909986

COc1ccc(NC(=O)Nc2ccc(N(CCCl)CCCl)cc2)cc1Nc1c2ccccc2nc2c(C(=O)O)cccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.45
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
IGF1R P08069 2/20 0.42
LY6K Q17RY6 1/20 0.41
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
RCE1 Q9Y256 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
GLA P06280 2/20 0.41
SLC22A1 O15245 1/20 0.41
ABCC4 O15439 1/20 0.41
NR1I2 O75469 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 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
SCHEMBL4916171 0.94 KDM1A (0.47) KDM1AIGF1RKDM4EHSD17B10ALDH1A1
SCHEMBL4902270 0.93 KDM1A (0.42) KDM1AKMT2AMEN1KDM4EHSD17B10
SCHEMBL4912409 0.92 KMT2A (0.51) KDM1AKMT2AMEN1IGF1RLY6K
SCHEMBL4909694 0.91 IDO1 (0.40) KDM4ETP53MAPTIDO1SMN1; SMN2
SCHEMBL4910138 0.89 ABL1 (0.44) KDM1AKMT2AMEN1HTR2CHTR2B
SCHEMBL4916201 0.88 KDM1A (0.55) KDM1AKMT2AMEN1IGF1RALDH1A1
SCHEMBL4909277 0.87 IDO1 (0.44) KDM1AKMT2AMEN1IGF1RKDM4E
SCHEMBL4913007 0.87 KDM1A (0.52) KDM1AIGF1RPARP1
SCHEMBL4904595 0.86 KDM1A (0.48) KDM1AKMT2AMEN1IGF1RALDH1A1
SCHEMBL4912880 0.86 ABL1 (0.42) KDM1AIDO1

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 KDM1A 722/4885KMT2A 876/4885MEN1 4701/4885

“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.