SCHEMBL22751754

SCHEMBL22751754

OC(Nc1cccc2[nH]ncc12)c1cc2cc(F)ccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ TRPV1 Q8NER1 12/20 0.42
▸ RAF1 P04049 2/20 0.39
▸ BRAF P15056 2/20 0.39
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ KIT P10721 1/20 0.37
▸ EPHB4 P54760 1/20 0.36
▸ FLT3 P36888 1/20 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
SCHEMBL17149668 0.76 NPC1 (0.67) NPC1LMNACYP1A2CYP3A4HPGD
SCHEMBL18766888 0.72 ALDH1A1 (0.45) LMNACYP3A4HTTTRPV1
SCHEMBL21920987 0.67 KDM4E (0.51) LMNAHPGDCYP2C19FLT3
SCHEMBL21600866 0.66 JAK2 (0.58) NPC1LMNACYP1A2CYP3A4HPGD
SCHEMBL16703680 0.64 JAK2 (0.58) NPC1LMNACYP1A2CYP3A4HPGD
SCHEMBL18193501 0.64 JAK2 (0.58) NPC1LMNACYP1A2CYP3A4HPGD
SCHEMBL8536021 0.64 KDM4E (0.47) LMNACYP1A2HPGDCYP2C19FLT3
SCHEMBL29958279 0.63 JAK2 (0.54) NPC1LMNACYP1A2CYP3A4HPGD
SCHEMBL24196560 0.63 IDO1 (0.49) LMNAHPGDCYP2C19FLT3
SCHEMBL30270464 0.63 IDO1 (0.49) LMNAHPGDCYP2C19FLT3

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-10858319-B2 Indole derivatives for use in medicine IOMET PHARMA LTD. (GB) 2020-12-08 — — 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-10858319-B2 Indole derivatives for use in medicine IDO1, IDO2, TDO2 NPC1 3828/4885LMNA 4104/4885CYP1A2 67/4885

“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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