SCHEMBL2890747

SCHEMBL2890747

CCCc1c(C2=CCNC(C(=O)OC(C)C)C2)nnn1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.39
POLB P06746 1/20 0.36
TP53 P04637 1/20 0.35
ALOX12 P18054 1/20 0.35
ALDH1A1 P00352 5/20 0.35
MAPT P10636 3/20 0.35
LMNA P02545 1/20 0.35
MAOA P21397 1/20 0.33
F2 P00734 1/20 0.33
SLC5A1 P13866 1/20 0.32
SLC5A2 P31639 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD11B1 P28845 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL2886081 0.83 KDM4E (0.32) ROCK1POLBTP53ALOX12ALDH1A1
SCHEMBL2890749 0.74 GRM1 (0.54) ROCK1ALDH1A1LMNA
SCHEMBL17321500 0.64 ROCK1 (0.48) ROCK1POLBTP53ALOX12ALDH1A1
SCHEMBL17324731 0.62 HTT (0.51) ROCK1POLBTP53ALOX12ALDH1A1
SCHEMBL5483735 0.62 IDO1 (0.33) POLBNPC1RAB9ASMN1; SMN2
SCHEMBL2889408 0.59 MAOA (0.50) ROCK1POLBTP53ALOX12ALDH1A1
SCHEMBL2890539 0.58 MAOA (0.49) ROCK1TP53ALOX12ALDH1A1MAPT
SCHEMBL22780396 0.58 KMT2A (0.48) TP53ALOX12ALDH1A1MAPTLMNA
SCHEMBL3107135 0.58 MAPT (0.47) ROCK1POLBTP53ALOX12ALDH1A1
SCHEMBL20524881 0.57 KDM4E (0.83) ALDH1A1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070191389-A1 Biaryl derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-16 US claimed
EP-1764362-A1 BIARYL DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-03-21 EP claimed
US-7858800-B2 Biaryl derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-12-28 US disclosed
US-20070191389-A1 Biaryl derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-16 US disclosed
EP-1764362-A1 BIARYL DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-03-21 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-20070191389-A1 Biaryl derivatives GRM1, GRIN1, GRIN2B ROCK1 921/4885POLB 3166/4885TP53 4862/4885

“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.