SCHEMBL19969131

SCHEMBL19969131

CN(C(=O)[C@@H](N)CCc1cc(F)cc(F)c1)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.40
MLYCD O95822 2/20 0.38
LMNA P02545 1/20 0.36
POLQ O75417 1/20 0.35
MEN1 O00255 2/20 0.34
RAB9A P51151 2/20 0.34
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KIF11 P52732 1/20 0.33
ESRRG P62508 2/20 0.33
DPP4 P27487 1/20 0.33
FAP Q12884 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL19962118 0.88 NR1H4 (0.41) NR1H4MLYCDLMNAPOLQMEN1
SCHEMBL20007716 0.85 PER2 (0.32) MLYCDLMNAMEN1KMT2AALDH1A1
SCHEMBL19969271 0.79 CTSK (0.41) NR1H4
SCHEMBL20007415 0.78 HSP90AA1 (0.40) RAB9AMAPTHTTSMN1; SMN2
SCHEMBL20427707 0.75 PDE10A (0.34) RAB9ANPC1
SCHEMBL19962116 0.74 CIT (0.52) NR1H4MLYCDLMNAMEN1RAB9A
SCHEMBL19962121 0.73 CIT (0.38) LMNAMEN1RAB9AKMT2AALDH1A1
SCHEMBL18317595 0.73 CIT (0.39) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL18180281 0.73 CIT (0.39) MLYCDLMNAMEN1KMT2AALDH1A1
SCHEMBL18180401 0.73 CIT (0.39) LMNAMEN1KMT2AALDH1A1MAPT

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-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-15 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-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2H, POLR2E NR1H4 1361/4885MLYCD 1542/4885LMNA 3382/4885

“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.