SCHEMBL21652286

SCHEMBL21652286

CC(C)(C)c1nc2cc(Br)ccc2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.51
DYRK1A Q13627 2/20 0.49
ADORA1 P30542 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 1/20 0.41
TUBA1C Q9BQE3 1/20 0.41
TUBB6 Q9BUF5 1/20 0.41
TUBB2B Q9BVA1 1/20 0.41
TUBB1 Q9H4B7 1/20 0.41
MGAM O43451 1/20 0.39
GAA P10253 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
SCHEMBL7873642 0.86 PPARA (0.51) PPARADYRK1ANPC1CYP1A2CYP3A4
SCHEMBL22487921 0.83 PPARA (0.47) PPARADYRK1AADORA1TUBB4ATUBB
SCHEMBL29347497 0.83 PPARA (0.47) PPARADYRK1AADORA1TUBB4ATUBB
SCHEMBL10586112 0.82 DYRK1A (0.45) PPARADYRK1AADORA1TUBB4ATUBB
SCHEMBL2705399 0.80 CASR (0.44) DYRK1ACASRHDAC3HDAC1HDAC2
SCHEMBL7239065 0.80 CASR (0.49) DYRK1AGAACASRNPC1CYP1A2
SCHEMBL9891490 0.79 SMN1; SMN2 (0.56) PPARAMGAMGAASIMGAM2
SCHEMBL21652203 0.79 CASR (0.38) CASRNPC1RAB9AHDAC3HDAC1
SCHEMBL2090627 0.79 CASR (0.37) PPARACASRNPC1RAB9AHDAC3
SCHEMBL10220001 0.79 DYRK1A (0.49) DYRK1ACASRKAT8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3395795-B1 MALONONITRILE OXIME ETHER COMPOUND AND USE THEREOF SHENYANG SINOCHEM AGROCHEMICALS R & D CO LTD (CN) 2023-07-19 EP disclosed
US-20200308165-A1 Compounds as Ras Inhibitors and Use Thereof D. E. SHAW RESEARCH, LLC 2020-10-01 US disclosed
US-10544092-B2 Malononitrile oxime ether compound and use thereof SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2020-01-28 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-10544092-B2 Malononitrile oxime ether compound and use thereof ME1, MAL2, ME3 PPARA 1086/4885DYRK1A 3639/4885ADORA1 4533/4885
US-20200308165-A1 Compounds as Ras Inhibitors and Use Thereof KRAS, NRAS, HRAS PPARA 4140/4885DYRK1A 2709/4885ADORA1 4626/4885

“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.