SCHEMBL25593244

SCHEMBL25593244

CC(C)(C)C(=O)NCCc1cn[nH]c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
NOS2 P35228 1/20 0.42
ALDH1A1 P00352 5/20 0.41
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX12 P18054 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
ROCK2 O75116 2/20 0.40
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ROCK1 Q13464 1/20 0.38
HAT1 O14929 1/20 0.38
EP300 Q09472 1/20 0.38

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
SCHEMBL20233602 0.84 NAMPT (0.48) NOS2
SCHEMBL24011096 0.82 KDM4E (0.54) NOS2ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL20028968 0.82 NPSR1 (0.48) ALDH1A1CYP3A4
SCHEMBL26779530 0.79 ACACB (0.46) NOS2ALDH1A1SMN1; SMN2
SCHEMBL26763693 0.78 NOS2 (0.49) NOS2ALDH1A1CYP2C9CYP2C19ROCK2
SCHEMBL19001326 0.77 POLB (0.44) POLBALDH1A1NPC1CYP1A2CYP3A4
SCHEMBL18997748 0.76 POLB (0.49) POLBALDH1A1NPC1CYP1A2CYP3A4
SCHEMBL19001268 0.75 HRH4 (0.39) NOS2HAT1EP300
SCHEMBL19001323 0.74 POLB (0.47) POLBALDH1A1NPC1CYP1A2CYP3A4
SCHEMBL13212020 0.74 NPC1 (0.62) POLBALDH1A1NPC1RAB9AROCK2

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-20230278958-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2023-09-07 US disclosed
US-20230174538-A1 Tricyclic heterocycles MERCK PATENT GMBH (DE) 2023-06-08 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 (2 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-20230278958-A1 TRICYCLIC HETEROCYCLES YAP1, TERF2IP, TEAD1 POLB 1569/4885NOS2 3931/4885ALDH1A1 3813/4885
US-20230174538-A1 Tricyclic heterocycles YAP1, TEAD1, TERF2IP POLB 1991/4885NOS2 3951/4885ALDH1A1 3857/4885

“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.