SCHEMBL17283574

SCHEMBL17283574

c1cc(-c2cc(-c3ccc4[nH]cnc4c3)c[nH]2)cc(-c2cc(-c3ccc4nc[nH]c4c3)c[nH]2)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 11/20 0.51
▸ QPCTL Q9NXS2 5/20 0.51
▸ KDM4E B2RXH2 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PRKCI P41743 2/20 0.40
▸ BRD4 O60885 1/20 0.39
▸ CREBBP Q92793 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ XDH P47989 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ RAD52 P43351 1/20 0.39
▸ PSMD11 O00231 1/20 0.37
▸ MMP12 P39900 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
SCHEMBL2474515 0.82 QPCT (0.60) QPCTQPCTLKDM4ENPC1ALDH1A1
SCHEMBL17283471 0.80 QPCT (0.47) QPCTQPCTLKDM4ENPC1ALDH1A1
SCHEMBL22418756 0.78 QPCT (0.64) QPCTQPCTLKDM4ENPC1ALDH1A1
SCHEMBL22418755 0.78 QPCT (0.47) QPCTQPCTLKDM4ENPC1ALDH1A1
SCHEMBL31143361 0.75 MAPT (0.50) QPCTQPCTLKDM4ENPC1ALDH1A1
SCHEMBL6008269 0.75 MAPT (0.50) QPCTQPCTLKDM4ENPC1ALDH1A1
SCHEMBL8634290 0.75 QPCT (0.68) QPCTQPCTLKDM4ENPC1ALDH1A1
SCHEMBL28190280 0.75 QPCT (0.47) QPCTQPCTLKDM4ENPC1ALDH1A1
SCHEMBL28190281 0.75 QPCT (0.64) QPCTQPCTLKDM4ENPC1ALDH1A1
SCHEMBL2457365 0.74 QPCT (0.50) QPCTQPCTLKDM4ENPC1ALDH1A1

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-20180203175-A1 TRIAZOLE COMPOUND Konica Minolta, Inc. (JP) 2018-07-19 — — US disclosed
US-10012777-B2 Resin composition Konica Minolta, Inc. (JP) 2018-07-03 — — US disclosed
US-20150338563-A1 RESIN COMPOSITION, TRIAZOLE COMPOUND, OPTICAL FILM, POLARIZING PLATE, OPTICAL LENS, CIRCULARLY POLARIZING PLATE AND IMAGE DISPLAY DEVICE KONICA MINOLTA, INC (JP) 2015-11-26 — — 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 (3 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-20150338563-A1 RESIN COMPOSITION, TRIAZOLE COMPOUND, OPTICAL FILM, POLARIZING PLATE, OPTICAL LENS, CIRCULARLY POLARIZING PLATE AND IMAGE DISPLAY DEVICE HRH3, HELZ, NBAS QPCT 2690/4885QPCTL 1567/4885KDM4E 2732/4885
US-10012777-B2 Resin composition NBAS, WDR5, HRH3 QPCT 2356/4885QPCTL 1297/4885KDM4E 1554/4885
US-20180203175-A1 TRIAZOLE COMPOUND H1-10, TTI2, H1-2 QPCT 361/4885QPCTL 465/4885KDM4E 3237/4885

“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.

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