SCHEMBL20845011

SCHEMBL20845011

C1=C\c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5cccnc5)nc4)n3)cc2-c2ccc3ccccc3c2Sc2ccccc2-c2ccccc2/1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.35
▸ KDM4E B2RXH2 5/20 0.35
▸ RAB9A P51151 4/20 0.35
▸ HPGD P15428 4/20 0.35
▸ MAPT P10636 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ DHODH Q02127 1/20 0.34
▸ HSD17B10 Q99714 5/20 0.33
▸ CYP19A1 P11511 1/20 0.32
▸ GAA P10253 2/20 0.32
▸ TSHR P16473 2/20 0.32
▸ S1PR1 P21453 1/20 0.32
▸ CYP11B1 P15538 2/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP2C9 P11712 4/20 0.32
▸ TRPV1 Q8NER1 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL20845088 0.97 DHODH (0.34) ALDH1A1KDM4ERAB9AHPGDMAPT
SCHEMBL20845014 0.97 RAB9A (0.34) ALDH1A1KDM4ERAB9AHPGDMAPT
SCHEMBL20845018 0.95 ALDH1A1 (0.39) ALDH1A1KDM4ERAB9AHPGDMAPT
SCHEMBL20845087 0.93 DHODH (0.37) ALDH1A1KDM4ERAB9AHPGDMAPT
SCHEMBL20845251 0.93 KDM4E (0.36) ALDH1A1KDM4ERAB9AHPGDMAPT
SCHEMBL20845017 0.92 DHODH (0.38) ALDH1A1KDM4ERAB9AHPGDMAPT
SCHEMBL20845247 0.92 DHODH (0.38) ALDH1A1KDM4ERAB9AHPGDMAPT
SCHEMBL20222681 0.92 DHODH (0.37) ALDH1A1KDM4ERAB9AHPGDMAPT
SCHEMBL20845093 0.91 DHODH (0.38) ALDH1A1KDM4ERAB9AHPGDMAPT
SCHEMBL20845329 0.90 ALDH1A1 (0.38) ALDH1A1KDM4ERAB9AHPGDMAPT

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 ALDH1A1 981/4885KDM4E 631/4885RAB9A 635/4885

“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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