SCHEMBL18133820

SCHEMBL18133820

O=C1c2cc(F)ccc2-n2c1nc1ccc(CN3CCCCC3)cc1c2=O

nearest known ligand 0.83

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 20/20 0.83
▸ TDO2 P48775 19/20 0.83
▸ IDO2 Q6ZQW0 11/20 0.83
▸ MEN1 O00255 1/20 0.59
▸ APAF1 O14727 1/20 0.59
▸ NPC1 O15118 1/20 0.59
▸ MITF O75030 1/20 0.59
▸ HSP90AA1 P07900 1/20 0.59
▸ RAB9A P51151 1/20 0.59
▸ KMT2A Q03164 1/20 0.59

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
SCHEMBL18133826 0.91 IDO1 (1.00) IDO1TDO2IDO2MEN1APAF1
SCHEMBL18059859 0.90 IDO1 (1.00) IDO1TDO2IDO2MEN1APAF1
SCHEMBL18059864 0.90 IDO1 (1.00) IDO1TDO2IDO2MEN1APAF1
SCHEMBL18133821 0.89 IDO1 (0.68) IDO1TDO2IDO2
SCHEMBL30639081 0.83 IDO1 (0.78) IDO1TDO2IDO2MEN1APAF1
SCHEMBL26614148 0.83 IDO1 (0.77) IDO1TDO2IDO2MEN1APAF1
SCHEMBL31382861 0.83 IDO1 (0.77) IDO1TDO2IDO2MEN1APAF1
SCHEMBL18133818 0.83 IDO1 (0.78) IDO1TDO2IDO2MEN1APAF1
SCHEMBL18136220 0.82 IDO1 (1.00) IDO1TDO2IDO2
SCHEMBL17830811 0.82 TDO2 (1.00) IDO1TDO2IDO2MEN1APAF1

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-20160297822-A1 N-benzyl tryptanthrin derivative, and preparation method and application thereof FUDAN UNIVERSITY (CN) 2016-10-13 — — 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-20160297822-A1 N-benzyl tryptanthrin derivative, and preparation method and application thereof IDO1, IDO2, TPH1 IDO1 1/4885TDO2 5/4885IDO2 2/4885

“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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