SCHEMBL20845014

SCHEMBL20845014

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CYP19A1 P11511 2/20 0.33
▸ DHODH Q02127 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ CYP2C9 P11712 3/20 0.32
▸ HPGDS O60760 1/20 0.32
▸ CYP11B1 P15538 2/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ MAPK10 P53779 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ CYP2A6 P11509 1/20 0.31
▸ HSD17B10 Q99714 2/20 0.31
▸ S1PR1 P21453 1/20 0.31
▸ CYP17A1 P05093 1/20 0.31
▸ CYP11B2 P19099 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
SCHEMBL20845011 0.97 ALDH1A1 (0.35) RAB9ASMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL20845088 0.97 DHODH (0.34) RAB9ASMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL20845251 0.96 KDM4E (0.36) RAB9ASMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL20845247 0.92 DHODH (0.38) RAB9ASMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL20845017 0.92 DHODH (0.38) RAB9ASMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL20845018 0.92 ALDH1A1 (0.39) RAB9ASMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL20845087 0.92 DHODH (0.37) RAB9ASMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL20222581 0.91 CYP19A1 (0.36) RAB9ASMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL20845093 0.90 DHODH (0.38) RAB9ASMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL20222681 0.89 DHODH (0.37) RAB9ASMN1; SMN2ALDH1A1KDM4EMAPT

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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