SCHEMBL3181708

SCHEMBL3181708

CC(C)C(=O)c1c[nH]c2cc(F)ccc12

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 1/20 0.50
▸ TDO2 P48775 7/20 0.49
▸ ALDH1A1 P00352 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ HAT1 O14929 1/20 0.46
▸ EP300 Q09472 1/20 0.46
▸ HTR2A P28223 2/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ HTR1A P08908 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ NR4A2 P43354 1/20 0.43
▸ IDO1 P14902 1/20 0.43

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
SCHEMBL14147111 0.88 KDM4E (0.57) GPR84ALDH1A1KMT2AKDM4EHTR2A
SCHEMBL25742050 0.85 GPR84 (0.45) GPR84TDO2ALDH1A1KMT2AKDM4E
SCHEMBL13533568 0.83 NR4A2 (0.63) ALDH1A1KMT2AKDM4EHAT1EP300
SCHEMBL25742056 0.82 HAT1 (0.47) GPR84TDO2HAT1EP300
SCHEMBL2818109 0.82 KDM4E (0.66) GPR84TDO2ALDH1A1KMT2AKDM4E
SCHEMBL30417250 0.82 KDM4E (0.66) GPR84TDO2ALDH1A1KMT2AKDM4E
SCHEMBL3174938 0.81 NR4A2 (0.49) ALDH1A1KMT2ANR4A2
SCHEMBL3188134 0.81 NR4A2 (0.64) GPR84ALDH1A1KMT2AHAT1EP300
SCHEMBL3174159 0.81 ALDH1A1 (0.60) ALDH1A1KMT2AHAT1EP300NR4A2
SCHEMBL25742000 0.80 GPR84 (0.45) GPR84TDO2KDM4EHAT1EP300

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016371-A1 Indole Compounds GLAXO GROUP LIMITED (GB) 2010-01-21 — — US disclosed
US-20100016371-A1 Indole Compounds GLAXO GROUP LIMITED (GB) 2010-01-21 — — US disclosed
US-20100016371-A1 Indole Compounds GLAXO GROUP LIMITED (GB) 2010-01-21 — — 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-20100016371-A1 Indole Compounds IDO1, TPH1, IDO2 GPR84 1787/4885TDO2 44/4885ALDH1A1 728/4885

“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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