SCHEMBL29958505

SCHEMBL29958505

COc1ccc(Cl)cc1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
TUBB1 Q9H4B7 2/20 0.46
TRPV4 Q9HBA0 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 2/20 0.43
HTR3E A5X5Y0 2/20 0.43
HTR3B O95264 2/20 0.43
HTR3A P46098 2/20 0.43
HTR3D Q70Z44 2/20 0.43
HTR3C Q8WXA8 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 4/20 0.43
AMY1A P0DUB6 2/20 0.43
POLB P06746 1/20 0.43
HTR2A P28223 1/20 0.43

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
SCHEMBL929274 1.00 ALDH1A1 (0.52) ALDH1A1TUBB1TRPV4MEN1KMT2A
SCHEMBL20526464 0.98 ALDH1A1 (0.50) ALDH1A1TUBB1TRPV4MEN1KMT2A
SCHEMBL29198847 0.90 TRPV4 (0.56) ALDH1A1TUBB1TRPV4MEN1KMT2A
SCHEMBL30467622 0.85 SMN1; SMN2 (0.40) ALDH1A1MEN1KMT2ACYP1A2CYP2D6
SCHEMBL28944660 0.83 KDM4E (0.41) ALDH1A1MEN1KMT2ACYP1A2CYP2D6
SCHEMBL585492 0.82 TRPV4 (0.50) ALDH1A1TRPV4MEN1KMT2AHPGD
SCHEMBL29359707 0.82 TRPV4 (0.50) ALDH1A1TRPV4MEN1KMT2AHPGD
Magnesium SCHEMBL30697198 0.80 TRPV4 (0.48) ALDH1A1TRPV4MEN1KMT2AHPGD
SCHEMBL3893582 0.79 CA2 (0.53) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL2127233 0.78 TRPV4 (0.55) ALDH1A1TRPV4MEN1KMT2ACYP1A2

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-20240279240-A1 HETEROCYCLIC DERIVATIVES AS JANUS KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-08-22 US disclosed
EP-4373814-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CORONAVIRAL RELATED DISEASES Novartis AG (CH) 2024-05-29 EP disclosed
EP-4308122-A1 HETEROCYCLIC DERIVATIVES AS JANUS KINASE INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2024-01-24 EP disclosed
WO-2023002409-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CORONAVIRAL RELATED DISEASES NOVARTIS AG (CH) 2023-01-26 WO disclosed
WO-2022194779-A1 HETEROCYCLIC DERIVATIVES AS JANUS KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2022-09-22 WO 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-20240279240-A1 HETEROCYCLIC DERIVATIVES AS JANUS KINASE INHIBITORS TYK2, JAK3, JAK1 ALDH1A1 3533/4885TUBB1 2209/4885TRPV4 3287/4885

“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.