SCHEMBL10123563

SCHEMBL10123563

O=C(C[n+]1ccccc1)OP

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
PABPC1 P11940 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HSP90AA1 P07900 3/20 0.38
ACHE P22303 2/20 0.36
POLB P06746 2/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPK1 P28482 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
RAB9A P51151 1/20 0.35
CYP2C9 P11712 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL19037381 0.81 KMT2A (0.48) KMT2APABPC1KDM4EHSP90AA1ACHE
Hydrochloric Acid SCHEMBL19031290 0.79 KMT2A (0.47) KMT2APABPC1KDM4EHSP90AA1ACHE
SCHEMBL12534300 0.77 KMT2A (0.50) KMT2APABPC1KDM4EHSP90AA1ACHE
SCHEMBL19037385 0.77 KMT2A (0.45) KMT2APABPC1KDM4EHSP90AA1ACHE
SCHEMBL3771803 0.77 KMT2A (0.45) KMT2APABPC1KDM4EHSP90AA1ACHE
Bromide SCHEMBL9080240 0.76 KMT2A (0.53) KMT2APABPC1KDM4EHSP90AA1ACHE
Hydrochloric Acid SCHEMBL5848674 0.76 HSP90AA1 (0.50) KMT2AKDM4EHSP90AA1ACHEPOLB
SCHEMBL4232151 0.74 KMT2A (0.47) KMT2AHSP90AA1ACHEPOLBALDH1A1
Hydrochloric Acid SCHEMBL624259 0.72 KMT2A (0.46) KMT2AHSP90AA1ACHEPOLBALDH1A1
Bromide SCHEMBL344154 0.72 KMT2A (0.50) KMT2AKDM4EHSP90AA1ALDH1A1MAPT

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-8748452-B2 Indolizine derivative and use thereof for medical purposes KISSEI PHARMACEUTICAL CO., LTD. (JP) 2014-06-10 US disclosed
US-20120015972-A1 INDOLIZINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-01-19 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-20120015972-A1 INDOLIZINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES XDH, INMT, PON1 KMT2A 2454/4885PABPC1 4714/4885KDM4E 3481/4885

“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.