SCHEMBL23641189

SCHEMBL23641189

C=C/C=C(\CC)N(C)Cc1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ PYCR1 P32322 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ BCL2A1 Q16548 3/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ LSS P48449 2/20 0.35
▸ AOC3 Q16853 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ P2RX7 Q99572 2/20 0.33
▸ CCR1 P32246 1/20 0.33

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
SCHEMBL25969224 0.83 ALDH1A1 (0.39) ALDH1A1HTTRAB9ABCL2A1CNR2
SCHEMBL25969225 0.81 ALDH1A1 (0.50) ALDH1A1HTTRAB9APYCR1SMN1; SMN2
SCHEMBL23641242 0.69 ALDH1A1 (0.56) ALDH1A1HTTRAB9APYCR1SMN1; SMN2
SCHEMBL23789094 0.68 ALDH1A1 (0.54) ALDH1A1HTTRAB9APYCR1SMN1; SMN2
SCHEMBL6412640 0.67 ALDH1A1 (0.68) ALDH1A1HTTRAB9APYCR1SMN1; SMN2
SCHEMBL13769106 0.67 ALDH1A1 (0.58) ALDH1A1HTTRAB9APYCR1SMN1; SMN2
SCHEMBL17887509 0.66 ALDH1A1 (0.61) ALDH1A1HTTRAB9APYCR1SMN1; SMN2
SCHEMBL11300231 0.66 ALDH1A1 (0.66) ALDH1A1HTTRAB9APYCR1SMN1; SMN2
SCHEMBL4573297 0.66 PYCR1 (0.52) ALDH1A1HTTRAB9APYCR1SMN1; SMN2
SCHEMBL197287 0.65 HRH3 (0.64) ALDH1A1HTTRAB9APYCR1LSS

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-11718614-B2 Compounds and methods for treatment of hedgehog pathway associated conditions SUZHOU MEDNES PHARMA TECH CO., LTD. (CN) 2023-08-08 — — US disclosed
US-20210214353-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HEDGEHOG PATHWAY ASSOCIATED CONDITIONS SUZHOU MEDNES PHARMA TECH CO., LTD. (CN) 2021-07-15 — — 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-11718614-B2 Compounds and methods for treatment of hedgehog pathway associated conditions SHH, GLI1, SMO ALDH1A1 786/4885HTT 2727/4885RAB9A 920/4885
US-20210214353-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HEDGEHOG PATHWAY ASSOCIATED CONDITIONS SHH, GLI1, SMO ALDH1A1 786/4885HTT 2727/4885RAB9A 920/4885

“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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