SCHEMBL22869840

SCHEMBL22869840

O=C(Nc1ccc(I)cc1)N1CCC(n2c(=O)[nH]c3c(-n4cc(Br)cn4)cccc32)CC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
DRD2 P14416 1/20 0.43
CALCRL Q16602 12/20 0.40
CHRM1 P11229 1/20 0.40
LMNA P02545 2/20 0.39
MAPK1 P28482 2/20 0.39
HTT P42858 1/20 0.39
HSD11B1 P28845 1/20 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
SCHEMBL30870368 1.00 ALDH1A1 (0.45) ALDH1A1DRD2CALCRLCHRM1LMNA
SCHEMBL27207701 0.89 ALDH1A1 (0.44) ALDH1A1DRD2CALCRLCHRM1LMNA
SCHEMBL22869588 0.86 ALDH1A1 (0.47) ALDH1A1DRD2CALCRLCHRM1LMNA
SCHEMBL30870232 0.86 ALDH1A1 (0.47) ALDH1A1DRD2CALCRLCHRM1LMNA
SCHEMBL22869395 0.86 ALDH1A1 (0.47) ALDH1A1DRD2CALCRLCHRM1LMNA
SCHEMBL30870214 0.86 ALDH1A1 (0.47) ALDH1A1DRD2CALCRLCHRM1LMNA
SCHEMBL22869851 0.85 ALDH1A1 (0.46) ALDH1A1DRD2CALCRLCHRM1LMNA
SCHEMBL30870299 0.85 ALDH1A1 (0.46) ALDH1A1DRD2CALCRLCHRM1LMNA
SCHEMBL22869702 0.85 ALDH1A1 (0.46) ALDH1A1DRD2CALCRLCHRM1LMNA
SCHEMBL30870351 0.85 ALDH1A1 (0.46) ALDH1A1DRD2CALCRLCHRM1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112074511-B Substituted benzodiazoles and their use in therapy 托马斯·黑勒戴药物研究基金会 2024-04-26 CN claimed
CN-112074511-B Substituted benzodiazoles and their use in therapy 托马斯·黑勒戴药物研究基金会 2024-04-26 CN disclosed
US-20210002250-A1 SUBSTITUTED BENZODIAZOLES AND USE THEREOF IN THERAPY THOMAS HELLEDAYS STIFTELSE FÖR MEDICINSK FORSKNING (SE) 2021-01-07 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-20210002250-A1 SUBSTITUTED BENZODIAZOLES AND USE THEREOF IN THERAPY XDH, CYP4X1, CYP11B2 ALDH1A1 330/4885DRD2 1388/4885CALCRL 3071/4885

“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.