SCHEMBL23850520

SCHEMBL23850520

O=C1c2c(Cl)cccc2CCC1Br

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
AHR P35869 1/20 0.35
HTR2C P28335 3/20 0.35
HTR2B P41595 3/20 0.35
HTR2A P28223 2/20 0.35
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
TAS1R2 Q8TE23 2/20 0.33
NOTUM Q6P988 1/20 0.33
AADAT Q8N5Z0 1/20 0.33
KMT2A Q03164 1/20 0.33
CES1 P23141 1/20 0.33
PDPK1 O15530 1/20 0.32
GRIA1 P42261 1/20 0.32
CACNG8 Q8WXS5 1/20 0.32

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
SCHEMBL7518026 0.76 PDPK1 (0.38) TDP1AHRHTR2CHTR2BHTR2A
SCHEMBL22463101 0.74 ACHE (0.48) ALDH1A1MAPTSMN1; SMN2TDP1KMT2A
SCHEMBL18204501 0.74 HTR2C (0.45) SMN1; SMN2HTR2CHTR2BTAS1R3TAS1R1
SCHEMBL18204531 0.74 HTR2C (0.45) SMN1; SMN2HTR2CHTR2BTAS1R3TAS1R1
SCHEMBL8874724 0.73 CYP19A1 (0.33) ALDH1A1MAPTSMN1; SMN2TDP1HTR2C
SCHEMBL17443406 0.72 TSHR (0.38) TDP1TAS1R3TAS1R1TAS1R2KMT2A
SCHEMBL19899075 0.71 TDP1 (0.40) ALDH1A1MAPTTDP1TAS1R3TAS1R1
SCHEMBL27366970 0.71 CYP19A1 (0.36) THRBSMN1; SMN2TDP1NOTUMPDPK1
SCHEMBL3346153 0.71 CYP19A1 (0.51) ALDH1A1MAPTSMN1; SMN2TDP1HTR2C
SCHEMBL29604926 0.71 CYP19A1 (0.51) ALDH1A1MAPTSMN1; SMN2TDP1HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12209092-B2 Inhibitors of GLI1 as therapeutic agents NEW YORK UNIVERSITY (US) 2025-01-28 US disclosed
EP-3883932-B1 INHIBITORS OF GLI1 AS THERAPEUTIC AGENTS UNIV NEW YORK (US) 2023-03-29 EP disclosed
US-20220009935-A1 INHIBITORS OF GLI1 AS THERAPEUTIC AGENTS NEW YORK UNIVERSITY 2022-01-13 US disclosed
EP-3883932-A1 INHIBITORS OF GLI1 AS THERAPEUTIC AGENTS New York University (US) 2021-09-29 EP disclosed
CN-113316577-A GLi1 inhibitors as therapeutic agents 纽约大学 2021-08-27 CN 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-12209092-B2 Inhibitors of GLI1 as therapeutic agents GLI1, GLI2, SHH ALDH1A1 1281/4885MAPT 2297/4885THRB 1855/4885
US-20220009935-A1 INHIBITORS OF GLI1 AS THERAPEUTIC AGENTS GLI1, GLI2, SHH ALDH1A1 1281/4885MAPT 2297/4885THRB 1855/4885

“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.