SCHEMBL24759166

SCHEMBL24759166

CSc1ccc(-c2c(Cl)cc(N)cc2Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.43
GABRD O14764 2/20 0.43
GABRA1 P14867 2/20 0.43
GABRB1 P18505 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA5 P31644 2/20 0.43
GABRA3 P34903 2/20 0.43
GABRA2 P47869 2/20 0.43
GABRB2 P47870 2/20 0.43
GABRA4 P48169 2/20 0.43
GABRE P78334 2/20 0.43
GABRA6 Q16445 2/20 0.43
GABRG1 Q8N1C3 2/20 0.43
GABRG3 Q99928 2/20 0.43
GABRQ Q9UN88 2/20 0.43
PDE7A Q13946 1/20 0.39
CYP3A4 P08684 5/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 3/20 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
SCHEMBL20108664 0.88 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL23193407 0.78 APP (0.37) GABRPGABRDGABRA1GABRB1GABRG2
Hydrochloric Acid SCHEMBL29118192 0.77 CYP3A4 (0.48) PDE7ACYP3A4ALDH1A1TSHRKDM4E
SCHEMBL14055290 0.77 CYP3A4 (0.48) CYP3A4ALDH1A1TSHRTHRBTP53
SCHEMBL11463512 0.77 PDE7A (0.47) PDE7ACYP3A4ALDH1A1TSHRKDM4E
SCHEMBL23193670 0.75 PDE7A (0.35) PDE7ACYP3A4ALDH1A1TSHRTHRB
SCHEMBL14744163 0.74 CYP3A4 (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11464658 0.73 SLC6A4 (0.42) PDE7ACYP3A4ALDH1A1TSHRTHRB
SCHEMBL5440688 0.73 MAOA (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL14746573 0.73 CYP3A4 (0.46) CYP3A4ALDH1A1TSHRKDM4EHPGD

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-20220402867-A1 SULFO-SUBSTITUTED BIARYL COMPOUND OR SALT THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF SHANGHAI LITEDD CO., LTD. (CN) 2022-12-22 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-20220402867-A1 SULFO-SUBSTITUTED BIARYL COMPOUND OR SALT THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF RORB, RORA, RORC GABRP 1248/4885GABRD 937/4885GABRA1 238/4885

“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.