SCHEMBL20845249

SCHEMBL20845249

C1=C\c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccnc5)cc4)n3)cc2-c2ccc3ccccc3c2Sc2ccccc2-c2ccccc2/1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ MAPT P10636 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ CYP11B1 P15538 3/20 0.36
▸ CYP11B2 P19099 2/20 0.36
▸ CYP17A1 P05093 1/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ NPC1 O15118 3/20 0.35
▸ TP53 P04637 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ USP1 O94782 6/20 0.34
▸ WDR48 Q8TAF3 6/20 0.34
▸ TSHR P16473 2/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ DHODH Q02127 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP1A2 P05177 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
SCHEMBL20845093 0.95 DHODH (0.38) RAB9ASMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL20845334 0.94 RAB9A (0.39) RAB9ASMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL20845247 0.94 DHODH (0.38) RAB9ASMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL20845017 0.94 DHODH (0.38) RAB9ASMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL20845242 0.92 SMN1; SMN2 (0.34) RAB9ASMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL20845087 0.92 DHODH (0.37) RAB9ASMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL20845251 0.92 KDM4E (0.36) RAB9ASMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL20845056 0.91 MAPT (0.34) RAB9ASMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL20222686 0.90 CYP11B1 (0.40) RAB9ASMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL20845018 0.90 ALDH1A1 (0.39) RAB9ASMN1; SMN2ALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190092745-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2019-03-28 — — 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-20190092745-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME SCO2, AOX1, ORC3 RAB9A 635/4885SMN1; SMN2 3160/4885ALDH1A1 981/4885

“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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