SCHEMBL5354612

SCHEMBL5354612

Ic1cn(Cc2ccccc2)c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
ALDH1A1 P00352 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
TSHR P16473 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
CHRNB2 P17787 1/20 0.58
CHRNA7 P36544 1/20 0.58
CHRNA4 P43681 1/20 0.58
CYP19A1 P11511 2/20 0.54
LMNA P02545 1/20 0.54
POLB P06746 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
HTR6 P50406 1/20 0.53
ADORA1 P30542 1/20 0.53
PDE4A P27815 3/20 0.52
PDE4B Q07343 3/20 0.52
PDE4C Q08493 3/20 0.52
PDE4D Q08499 3/20 0.52
PDE3B Q13370 3/20 0.52

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
Propionic Acid SCHEMBL19133587 0.88 L3MBTL1 (0.64) KMT2AMEN1ALDH1A1SMN1; SMN2CHRNB2
SCHEMBL27640882 0.82 HTR6 (0.56) KMT2AMEN1ALDH1A1SMN1; SMN2TSHR
SCHEMBL5622616 0.79 SMN1; SMN2 (0.60) KMT2AMEN1ALDH1A1SMN1; SMN2TSHR
SCHEMBL28803097 0.79 ALDH1A1 (0.55) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL29809329 0.79 ALDH1A1 (0.55) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL7390217 0.78 HDAC1 (0.62) KMT2AMEN1ALDH1A1SMN1; SMN2TSHR
SCHEMBL7390214 0.78 ALDH1A1 (0.58) KMT2AMEN1ALDH1A1SMN1; SMN2TSHR
SCHEMBL6817343 0.78 ALDH1A1 (0.58) KMT2AMEN1ALDH1A1SMN1; SMN2TSHR
SCHEMBL28018754 0.78 KMT2A (0.58) KMT2AMEN1ALDH1A1SMN1; SMN2TSHR
SCHEMBL11120102 0.77 CHRNB2 (0.61) KMT2AMEN1ALDH1A1SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017114500-A1 ACRYLANILIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATIONS THEREOF IN PHARMACY 恩瑞生物医药科技(上海)有限公司 2017-07-06 WO disclosed
WO-2013067248-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-10 WO disclosed
US-7176230-B2 Synthesis of indole analogs of 1-benzyl-3-(5′-hydroxymethyl-2′-furyl) indazole (YC-1) as anti-platelet agents INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2007-02-13 US disclosed
US-20060106041-A1 Synthesis of indole analogs of 1-benzyl-3-(5'-hydroxymethy 1-2' -furyl) indazole (YC-1) as anti-platelet agents INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2006-05-18 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 (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-20060106041-A1 Synthesis of indole analogs of 1-benzyl-3-(5'-hydroxymethy 1-2' -furyl) indazole (YC-1) as anti-platelet agents PFKP, HMOX1, TPH1 KMT2A 2910/4885MEN1 1204/4885ALDH1A1 1624/4885

“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.