SCHEMBL4036608

SCHEMBL4036608

CC(NC(=O)C1(Cc2ccc(F)cc2)CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.51
TSHR P16473 2/20 0.48
ALOX15 P16050 1/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
PTGER4 P35408 1/20 0.45
P2RX7 Q99572 1/20 0.43
FKBP1A P62942 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
TACR1 P25103 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CTSL P07711 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 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
SCHEMBL2465494 0.83 TP53 (0.52) ATMTSHRALOX15CYP2C19MEN1
SCHEMBL12491538 0.82 CNR1 (0.47) ATMTSHRALOX15MEN1KMT2A
SCHEMBL2185224 0.82 KDM1A (0.46) ATMTSHRALOX15MEN1KMT2A
SCHEMBL2465556 0.82 TP53 (0.45) ATMTSHRALOX15MEN1KMT2A
SCHEMBL5674705 0.80 PKM (0.53) MEN1KMT2A
SCHEMBL22080056 0.79 TSHR (0.58) ATMTSHRALOX15CYP3A4CYP2D6
SCHEMBL4369133 0.79 TSHR (0.49) ATMTSHRALOX15TACR1KDM4E
SCHEMBL5810960 0.79 HDAC2 (0.46) MEN1KMT2ATACR1
SCHEMBL378967 0.79 TSHR (0.60) ATMTSHRALOX15PTGER4RAB9A
SCHEMBL5807804 0.79 ATM (0.48) ATMTSHRALOX15CYP3A4CYP2D6

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-7582654-B2 Heterocyclo inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-01 US disclosed
US-20060014792-A1 Heterocyclo inhibitors of potassium channel function LLOYD JOHN 2006-01-19 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-20060014792-A1 Heterocyclo inhibitors of potassium channel function KCNJ2, KCNH2, KCNQ5 ATM 2815/4885TSHR 2555/4885ALOX15 2580/4885

“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.