SCHEMBL25766229

SCHEMBL25766229

O=c1c2ccccc2[nH]c(=S)n1CCN1CCC(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 3/20 0.68
▸ CYP1A2 P05177 2/20 0.68
▸ CYP3A4 P08684 2/20 0.68
▸ HTR1A P08908 2/20 0.68
▸ CYP2C9 P11712 2/20 0.68
▸ DRD2 P14416 2/20 0.68
▸ HPGD P15428 2/20 0.68
▸ HTR2C P28335 2/20 0.68
▸ CYP2D6 P10635 1/20 0.68
▸ TSHR P16473 1/20 0.68
▸ MAPT P10636 2/20 0.62
▸ ALDH1A1 P00352 2/20 0.62
▸ DGKA P23743 1/20 0.62
▸ DGKG P49619 1/20 0.62
▸ HIF1A Q16665 1/20 0.62
▸ KDM4E B2RXH2 1/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.62
▸ KMT2A Q03164 2/20 0.61
▸ MPO P05164 2/20 0.61
▸ MEN1 O00255 1/20 0.55

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
SCHEMBL6525344 0.90 HTR2A (0.69) HTR2ACYP1A2CYP3A4HTR1ACYP2C9
SCHEMBL6525350 0.90 HTR2A (0.69) HTR2ACYP1A2CYP3A4HTR1ACYP2C9
SCHEMBL3429384 0.90 HTR2A (0.69) HTR2ACYP1A2CYP3A4HTR1ACYP2C9
Altanserin SCHEMBL30136526 0.81 HTR2A (1.00) HTR2ACYP1A2CYP3A4HTR1ACYP2C9
Altanserin SCHEMBL404849 0.81 HTR2A (1.00) HTR2ACYP1A2CYP3A4HTR1ACYP2C9
Altanserin SCHEMBL30136524 0.81 HTR2A (1.00) HTR2ACYP1A2CYP3A4HTR1ACYP2C9
Altanserin SCHEMBL12629110 0.81 HTR2A (1.00) HTR2ACYP1A2CYP3A4HTR1ACYP2C9
SCHEMBL13904312 0.81 ACHE (0.58) HTR2ACYP1A2CYP3A4HTR1ACYP2C9
SCHEMBL22738404 0.80 KDM4E (0.60) HTR2ACYP1A2CYP3A4HTR1ACYP2C9
Altanserin SCHEMBL15662949 0.80 HTR2A (1.00) HTR2ACYP1A2CYP3A4HTR1ACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230201186-A1 SUBSTITUTED AMINOQUINOLONES AS DGKALPHA INHIBITORS FOR IMMUNE ACTIVATION BAYER AKTIENGESELLSCHAFT (DE) 2023-06-29 — — US disclosed
US-20230148194-A1 SUBSTITUTED AMINOQUINOLONES AS DGKALPHA INHIBITORS FOR IMMUNE ACTIVATION BAYER AKTIENGESELLSCHAFT (DE) 2023-05-11 — — 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 (2 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-20230148194-A1 SUBSTITUTED AMINOQUINOLONES AS DGKALPHA INHIBITORS FOR IMMUNE ACTIVATION DGKK, DGKG, DGKA HTR2A 4352/4885CYP1A2 2696/4885CYP3A4 3174/4885
US-20230201186-A1 SUBSTITUTED AMINOQUINOLONES AS DGKALPHA INHIBITORS FOR IMMUNE ACTIVATION DGKK, DGKG, DGKA HTR2A 4352/4885CYP1A2 2696/4885CYP3A4 3174/4885

“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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