SCHEMBL14629370

SCHEMBL14629370

O=C1[C@H](c2ccccc2)N2C(=O)CN(CF)N(C(=O)NCc3ccc(F)cc3)[C@H]2CN1Cc1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 15/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TCF4 P15884 1/20 0.39
CTNNB1 P35222 1/20 0.39

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
SCHEMBL14620561 0.97 CYP3A4 (0.46) CYP3A4
SCHEMBL14619991 0.92 CYP3A4 (0.43) CYP3A4MEN1KMT2A
SCHEMBL14620559 0.92 MEN1 (0.48) CYP3A4MEN1KMT2ANPC1ALDH1A1
SCHEMBL14620396 0.91 MEN1 (0.49) CYP3A4MEN1KMT2AALDH1A1
SCHEMBL748026 0.89 MEN1 (0.40) CYP3A4MEN1KMT2AALDH1A1TCF4
SCHEMBL747436 0.89 MEN1 (0.42) CYP3A4MEN1KMT2AALDH1A1
SCHEMBL14629369 0.89 CYP3A4 (0.38) CYP3A4MEN1KMT2ANPC1ALDH1A1
SCHEMBL14629365 0.89 CYP3A4 (0.42) CYP3A4
SCHEMBL747232 0.88 MEN1 (0.43) CYP3A4MEN1KMT2AALDH1A1
SCHEMBL748974 0.88 MEN1 (0.43) CYP3A4MEN1KMT2AALDH1A1

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-20070021425-A1 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2007-01-25 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-20070021425-A1 Reverse-turn mimetics and method relating thereto WNT1, APC, WNT3 CYP3A4 4757/4885MEN1 336/4885KMT2A 4111/4885

“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.