SCHEMBL18196326

SCHEMBL18196326

Cc1nnc(-c2cc(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)cc2-c2nnc(C)o2)o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.40
▸ KDM4E B2RXH2 5/20 0.40
▸ NPC1 O15118 4/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ HPGD P15428 4/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ BRD4 O60885 1/20 0.40
▸ TSHR P16473 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39
▸ PDK2 Q15119 2/20 0.36

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
SCHEMBL18196327 0.82 RAB9A (0.57) ALDH1A1KDM4ENPC1RAB9AHPGD
SCHEMBL9956092 0.78 KDM4E (0.41) ALDH1A1KDM4ENPC1RAB9AHPGD
SCHEMBL20483594 0.76 ALDH1A1 (0.46) ALDH1A1KDM4ENPC1RAB9AHPGD
SCHEMBL30349899 0.76 ALDH1A1 (0.46) ALDH1A1KDM4ENPC1RAB9AHPGD
SCHEMBL18196328 0.74 KDM4E (0.55) ALDH1A1KDM4ENPC1RAB9AHPGD
SCHEMBL18196359 0.74 GAA (0.46) ALDH1A1KDM4ENPC1RAB9AHPGD
SCHEMBL10820030 0.73 RAB9A (0.45) ALDH1A1KDM4ENPC1RAB9AHPGD
SCHEMBL10820037 0.72 RAB9A (0.43) ALDH1A1KDM4ENPC1RAB9AHPGD
SCHEMBL10064523 0.72 NPC1 (0.40) ALDH1A1KDM4ENPC1RAB9AHPGD
SCHEMBL10820040 0.71 NPC1 (0.56) ALDH1A1KDM4ENPC1RAB9AHPGD

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
EP-3288956-B1 LIGHT EMITTING DEVICES AND COMPOUNDS UNIV COURT UNIV ST ANDREWS (GB) 2020-12-23 — — EP disclosed
US-20180123052-A1 LIGHT EMITTING DEVICES AND COMPOUNDS UNIV COURT UNIV ST ANDREWS (GB) 2018-05-03 — — US disclosed
WO-2016174377-A1 LIGHT EMITTING DEVICES AND COMPOUNDS UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2016-11-03 — — WO 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-20180123052-A1 LIGHT EMITTING DEVICES AND COMPOUNDS DDC, TRPC1, TRPC4 ALDH1A1 914/4885KDM4E 3708/4885NPC1 4563/4885

“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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