SCHEMBL13891817

SCHEMBL13891817

N#Cc1c(C=O)c2ccccc2c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 1/20 0.50
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
ERN1 O75460 3/20 0.37
MAOA P21397 1/20 0.36
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
PDE9A O76083 1/20 0.34
EGFR P00533 1/20 0.33
SRC P12931 1/20 0.33
THRB P10828 1/20 0.33
MAPK1 P28482 1/20 0.33
STAT3 P40763 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL10488349 0.89 KDM4E (0.47) PADI4KDM4EALDH1A1MEN1MAPT
SCHEMBL148856 0.77 ALDH1A1 (0.59) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL9511557 0.77 PADI4 (0.68) PADI4KDM4EALDH1A1MEN1MAPT
SCHEMBL6155635 0.76 PADI4 (0.36) PADI4KDM4EALDH1A1MEN1MAPT
SCHEMBL7781509 0.74 CA1 (0.44) PADI4KDM4EALDH1A1MEN1MAPT
SCHEMBL150623 0.74 ALDH1A1 (0.64) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL986883 0.74 PADI4 (0.64) PADI4KDM4EALDH1A1MEN1MAPT
SCHEMBL29429129 0.74 ALDH1A1 (0.64) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL29588097 0.74 PADI4 (0.64) PADI4KDM4EALDH1A1MEN1MAPT
Hydrochloric Acid SCHEMBL9397561 0.71 PADI4 (0.61) PADI4KDM4EALDH1A1MEN1MAPT

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-7521551-B2 Chlorins possessing fused ring systems useful as photoselective compounds for photodynamic therapy MIRAVANT PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed
US-20080275232-A1 CHLORINS POSSESSING FUSED RING SYSTEMS USEFUL AS PHOTOSELECTIVE COMPOUNDS FOR PHOTODYNAMIC THERAPY MIRAVANT PHARMACEUTICALS, INC. 2008-11-06 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-20080275232-A1 CHLORINS POSSESSING FUSED RING SYSTEMS USEFUL AS PHOTOSELECTIVE COMPOUNDS FOR PHOTODYNAMIC THERAPY PPOX, HMBS, DDT PADI4 3596/4885KDM4E 3999/4885ALDH1A1 1906/4885

“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.