SCHEMBL21187523

SCHEMBL21187523

COc1cccc(C=O)c1-c1cn(C)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 5/20 0.45
▸ TLR2 O60603 1/20 0.45
▸ TLR1 Q15399 1/20 0.45
▸ TLR6 Q9Y2C9 1/20 0.45
▸ FGFR1 P11362 1/20 0.40
▸ SRC P12931 1/20 0.40
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ CYP2E1 P05181 1/20 0.39
▸ CYP2A6 P11509 1/20 0.39
▸ CYP2B6 P20813 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ ALDH1A1 P00352 6/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ TSHR P16473 1/20 0.37

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
SCHEMBL13281125 0.79 FGFR1 (0.40) ERN1TLR2TLR1TLR6FGFR1
SCHEMBL23092877 0.78 CA1 (0.45) ERN1TLR2TLR1TLR6FGFR1
SCHEMBL30203585 0.77 ERN1 (0.66) ERN1TLR2TLR1TLR6SRC
SCHEMBL20102297 0.73 CYP2E1 (0.45) CYP2C9CYP2C19CYP2E1CYP2A6CYP2B6
SCHEMBL23093177 0.71 ERN1 (0.42) ERN1TLR2TLR1TLR6CYP2C9
SCHEMBL19608992 0.69 ERN1 (0.56) ERN1TLR2TLR1TLR6SRC
SCHEMBL30203863 0.69 ERN1 (0.56) ERN1TLR2TLR1TLR6SRC
SCHEMBL8846481 0.69 ERN1 (0.56) ERN1TLR2TLR1TLR6SRC
SCHEMBL18529833 0.68 ERN1 (0.50) ERN1TLR2TLR1TLR6SRC
2-Methoxybenzaldehyde SCHEMBL27337621 0.68 ALDH1A1 (0.63) ERN1TLR2TLR1TLR6SRC

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-20190225618-A1 IDO Inhibitors MAUTINO MARIO (US) 2019-07-25 — — 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-20190225618-A1 IDO Inhibitors IDO1, IDO2, INMT ERN1 3698/4885TLR2 1606/4885TLR1 1759/4885

“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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