SCHEMBL20854812

SCHEMBL20854812

Cc1ccc(Sc2cccc(N)c2)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 2/20 0.44
▸ HAO1 Q9UJM8 1/20 0.41
▸ HPGD P15428 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ RAPGEF4 Q8WZA2 1/20 0.40
▸ HTR1A P08908 9/20 0.40
▸ HTR3A P46098 9/20 0.40
▸ CYP3A4 P08684 3/20 0.38
▸ SLC6A4 P31645 3/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ ADRB2 P07550 2/20 0.38
▸ ADRB1 P08588 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ HRH2 P25021 2/20 0.38
▸ HTR1B P28222 2/20 0.38
▸ HTR2A P28223 2/20 0.38
▸ HTR2C P28335 2/20 0.38
▸ HTR7 P34969 2/20 0.38

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
SCHEMBL7194725 0.89 PDE7A (0.47) PDE7AHPGDRAPGEF4CYP3A4CYP1A2
SCHEMBL20854802 0.80 PDE7A (0.52) PDE7AHAO1HPGDPKMSMN1; SMN2
SCHEMBL7674839 0.80 HTR1A (0.50) HAO1HPGDPKMSMN1; SMN2HTR1A
SCHEMBL20132404 0.78 ANXA2 (0.47) PDE7AHPGDCYP3A4SLC6A4HTR2C
SCHEMBL9557510 0.78 ALDH1A1 (0.41) HAO1HPGDPKMSMN1; SMN2HTR1A
SCHEMBL2960443 0.77 PDE7A (0.71) PDE7ACYP3A4SLC6A4ALDH1A1MAPT
SCHEMBL5548843 0.77 MAPT (0.57) PDE7AHPGDHTR1AHTR3ACYP3A4
SCHEMBL17527031 0.76 PDE7A (0.41) PDE7AHPGDRAPGEF4CYP3A4SLC6A4
SCHEMBL810304 0.75 SLC6A4 (0.53) HPGDSMN1; SMN2HTR1AHTR3ACYP3A4
SCHEMBL76793 0.74 HAO1 (0.55) HAO1HPGDPKMSMN1; SMN2HTR1A

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-10584093-B2 Method and catalyst for preparing aniline compounds and use thereof Seasons Biotechnology (Taizhou) Co., Ltd. (CN) 2020-03-10 — — US disclosed
US-20190100486-A1 METHOD AND CATALYST FOR PREPARING ANILINE COMPOUNDS AND USE THEREOF Seasons Biotechnology (Taizhou) Co., Ltd. (CN) 2019-04-04 — — 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-20190100486-A1 METHOD AND CATALYST FOR PREPARING ANILINE COMPOUNDS AND USE THEREOF CYP3A5, NOX5, NOS2 PDE7A 514/4885HAO1 505/4885HPGD 234/4885
US-10584093-B2 Method and catalyst for preparing aniline compounds and use thereof CYP3A5, NOX5, NOS2 PDE7A 514/4885HAO1 505/4885HPGD 234/4885

“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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