SCHEMBL23641242

SCHEMBL23641242

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

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.56
▸ HTT P42858 3/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ PYCR1 P32322 1/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ AOC3 Q16853 2/20 0.40
▸ LSS P48449 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ P2RX7 Q99572 1/20 0.38
▸ CCR1 P32246 1/20 0.36

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
SCHEMBL25969225 0.82 ALDH1A1 (0.50) ALDH1A1HTTRAB9APYCR1SMN1; SMN2
SCHEMBL6412640 0.78 ALDH1A1 (0.68) ALDH1A1HTTRAB9APYCR1SMN1; SMN2
SCHEMBL13769106 0.78 ALDH1A1 (0.58) ALDH1A1HTTRAB9APYCR1SMN1; SMN2
SCHEMBL10157120 0.75 ALDH1A1 (0.58) ALDH1A1HTTRAB9APYCR1SMN1; SMN2
SCHEMBL11300231 0.73 ALDH1A1 (0.66) ALDH1A1HTTRAB9APYCR1SMN1; SMN2
SCHEMBL17887509 0.73 ALDH1A1 (0.61) ALDH1A1HTTRAB9APYCR1SMN1; SMN2
SCHEMBL9824160 0.73 ALDH1A1 (0.70) ALDH1A1HTTRAB9ASMN1; SMN2NPC1
SCHEMBL197287 0.72 HRH3 (0.64) ALDH1A1HTTRAB9APYCR1POLB
SCHEMBL18532755 0.72 PYCR1 (0.67) ALDH1A1HTTRAB9APYCR1POLB
SCHEMBL9824635 0.72 ALDH1A1 (1.00) ALDH1A1HTTRAB9ASMN1; SMN2NPC1

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.

Send feedback