SCHEMBL2885349

SCHEMBL2885349

CCOc1c(I)nnn1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.46
ALOX12 P18054 1/20 0.46
ALDH1A1 P00352 6/20 0.45
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 2/20 0.40
PKM P14618 1/20 0.40
NLRP3 Q96P20 1/20 0.40
SLC5A1 P13866 1/20 0.38
SLC5A2 P31639 1/20 0.38
BCL2 P10415 1/20 0.37
MDM2 Q00987 1/20 0.37
MCL1 Q07820 1/20 0.37

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
SCHEMBL2889408 0.73 MAOA (0.50) TP53ALOX12ALDH1A1POLBSMN1; SMN2
SCHEMBL3263119 0.73 ALDH1A1 (0.43) TP53ALDH1A1LMNANPSR1TSHR
SCHEMBL2891386 0.73 HTT (0.56) TP53ALOX12ALDH1A1NPSR1MEN1
SCHEMBL29092087 0.72 SMN1; SMN2 (0.44) TP53ALDH1A1POLBLMNANPSR1
SCHEMBL20268271 0.69 KMT2A (0.42) TP53ALDH1A1POLBMEN1KMT2A
SCHEMBL3263025 0.68 PDE4D (0.60) TP53ALOX12ALDH1A1LMNAMEN1
SCHEMBL11312761 0.68 ALDH1A1 (0.50) TP53ALOX12ALDH1A1LMNANPSR1
SCHEMBL2890820 0.68 HSD11B1 (0.60) TP53ALOX12ALDH1A1LMNANPSR1
SCHEMBL13495221 0.66 POLB (0.47) ALDH1A1POLBLMNANPSR1TSHR
SCHEMBL14097088 0.64 NR4A3 (0.64) TP53ALDH1A1POLBHPGDSMN1; SMN2

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
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 TP53 4862/4885ALOX12 1520/4885ALDH1A1 712/4885

“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.