SCHEMBL3145067

SCHEMBL3145067

CCCCCCCCCCCC(Nc1nc(Cl)nc(NC(CCCCCCCCCCC)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
IDH1 O75874 1/20 0.31
IDH2 P48735 1/20 0.31
LMNA P02545 1/20 0.30
CYP2C9 P11712 1/20 0.30
NPR3 P17342 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL10934656 1.00 KMT2A (0.36) KMT2AGAATDP1IDH1IDH2
SCHEMBL10811643 0.99 KMT2A (0.35) KMT2AGAATDP1IDH1IDH2
SCHEMBL10910238 0.98 KMT2A (0.34) KMT2AGAATDP1
SCHEMBL11031866 0.98 KMT2A (0.34) KMT2AGAATDP1
SCHEMBL10912239 0.96 KMT2A (0.32) KMT2AGAATDP1
SCHEMBL711948 0.90 GAA (0.37) KMT2AGAATDP1IDH1IDH2
SCHEMBL8838277 0.88
SCHEMBL692464 0.87 GAA (0.33) GAATDP1IDH1IDH2LMNA
SCHEMBL3145310 0.84 KMT2A (0.36) KMT2AGAATDP1IDH1IDH2
SCHEMBL10678358 0.83 ALDH1A1 (0.34) LMNACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100074083-A1 RESIN COMPOSITION AND MOLDED PRODUCT OBTAINED BY MOLDING THE RESIN COMPOSITION MITSUI CHEMICALS, INC. (JP) 2010-03-25 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-20100074083-A1 RESIN COMPOSITION AND MOLDED PRODUCT OBTAINED BY MOLDING THE RESIN COMPOSITION SEM1, WDR5, WDR1 KMT2A 736/4885GAA 2506/4885TDP1 1403/4885

“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.