SCHEMBL3790231

SCHEMBL3790231

CC(=O)c1cc(N)ccc1-c1cccc(N)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.45
MAOA P21397 1/20 0.42
ALDH1A1 P00352 2/20 0.42
BRD4 O60885 1/20 0.42
FYN P06241 1/20 0.41
MAP4K4 O95819 1/20 0.41
TUBB4A P04350 3/20 0.41
TUBB P07437 3/20 0.41
TUBA3C P0DPH7 3/20 0.41
TUBA1B P68363 3/20 0.41
TUBA4A P68366 3/20 0.41
TUBB4B P68371 3/20 0.41
TUBB3 Q13509 3/20 0.41
TUBB2A Q13885 3/20 0.41
TUBB8 Q3ZCM7 3/20 0.41
TUBA3E Q6PEY2 3/20 0.41
TUBA1A Q71U36 3/20 0.41
TUBA1C Q9BQE3 3/20 0.41
TUBB6 Q9BUF5 3/20 0.41
TUBB2B Q9BVA1 3/20 0.41

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
SCHEMBL3784987 0.88 BCAT2 (0.47) MCL1MAOAALDH1A1BRD4ALOX5AP
SCHEMBL3784759 0.86 ALOX5AP (0.49) MCL1MAOAALDH1A1BRD4MAP4K4
SCHEMBL3808754 0.86 MCL1 (0.45) MCL1MAOAALDH1A1BRD4FYN
SCHEMBL3792146 0.84 MAP4K4 (0.48) MCL1MAOAALDH1A1BRD4MAP4K4
SCHEMBL3785357 0.84 MAPT (0.41) MCL1ALDH1A1ALOX5APFEN1MAPT
SCHEMBL2935523 0.83 ALDH1A1 (0.47) MCL1ALDH1A1BRD4MAPTSMN1; SMN2
SCHEMBL3785680 0.81 MCL1 (0.44) MCL1MAOAALDH1A1BRD4FYN
Acetic Acid SCHEMBL27755982 0.81 MAPT (0.43) MCL1ALDH1A1ALOX5APFEN1MAPT
Oxalic Acid SCHEMBL27735368 0.79 MAPT (0.42) MCL1ALDH1A1ALOX5APFEN1MAPT
SCHEMBL3785723 0.77 PRKCI (0.46) MCL1MAOAALDH1A1BRD4FYN

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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 MCL1 3100/4885MAOA 348/4885ALDH1A1 4339/4885

“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.