SCHEMBL18970320

SCHEMBL18970320

CC(C)Cc1cccc(C(=O)N(C)Cc2ccc3ccccc3c2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
HSD17B2 P37059 4/20 0.49
HSD17B1 P14061 3/20 0.49
PDK1 Q15118 3/20 0.48
F2 P00734 1/20 0.47
F10 P00742 1/20 0.47
F7 P08709 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
ACHE P22303 1/20 0.44
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
ATM Q13315 1/20 0.43
ERN1 O75460 1/20 0.43
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL15676761 0.86 KMT2A (0.61) KMT2AMEN1HSD17B2HSD17B1PDK1
SCHEMBL1696947 0.84 KMT2A (0.58) KMT2AMEN1HSD17B2HSD17B1PDK1
SCHEMBL18970421 0.84 KMT2A (0.61) KMT2AMEN1HSD17B2HSD17B1HPGD
SCHEMBL18970229 0.83 KMT2A (0.76) KMT2AMEN1HSD17B2PDK1ACHE
SCHEMBL1691800 0.83 KMT2A (0.57) KMT2AMEN1HSD17B2HSD17B1PDK1
SCHEMBL18970230 0.82 KMT2A (0.61) KMT2AMEN1HSD17B2HSD17B1HPGD
SCHEMBL18773985 0.82 KMT2A (0.58) KMT2AMEN1HSD17B2HSD17B1PDK1
SCHEMBL18717447 0.82 MEN1 (0.52) KMT2AMEN1HSD17B2HSD17B1PDK1
SCHEMBL18719892 0.81 PLAU (0.42) KMT2AMEN1HSD17B2F10HTR2A
SCHEMBL18970415 0.80 KMT2A (0.59) KMT2AMEN1HSD17B2HSD17B1ATM

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-20170166560-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-15 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-20170166560-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 KMT2A 2123/4885MEN1 1384/4885HSD17B2 1942/4885

“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.