SCHEMBL25969225

SCHEMBL25969225

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

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.50
▸ HTT P42858 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ PYCR1 P32322 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ BCL2A1 Q16548 3/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ LSS P48449 3/20 0.36
▸ AOC3 Q16853 1/20 0.36
▸ P2RX7 Q99572 1/20 0.35
▸ MGLL Q99685 1/20 0.34

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
SCHEMBL23641242 0.82 ALDH1A1 (0.56) ALDH1A1HTTRAB9APYCR1SMN1; SMN2
SCHEMBL23641189 0.81 ALDH1A1 (0.47) ALDH1A1HTTRAB9APYCR1SMN1; SMN2
SCHEMBL13769106 0.73 ALDH1A1 (0.58) ALDH1A1HTTRAB9APYCR1SMN1; SMN2
SCHEMBL6412640 0.73 ALDH1A1 (0.68) ALDH1A1HTTRAB9APYCR1SMN1; SMN2
SCHEMBL10157120 0.70 ALDH1A1 (0.58) ALDH1A1HTTRAB9APYCR1SMN1; SMN2
SCHEMBL20103588 0.70 ALDH1A1 (0.46) ALDH1A1HTTRAB9APYCR1SMN1; SMN2
SCHEMBL25969224 0.70 ALDH1A1 (0.39) ALDH1A1HTTRAB9ABCL2A1MGLL
SCHEMBL28396630 0.69 HTT (0.49) ALDH1A1HTTRAB9ASMN1; SMN2BCL2A1
SCHEMBL17887509 0.68 ALDH1A1 (0.61) ALDH1A1HTTRAB9APYCR1SMN1; SMN2
SCHEMBL11300231 0.68 ALDH1A1 (0.66) ALDH1A1HTTRAB9APYCR1SMN1; SMN2

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 1 patent. 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

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-11718614-B2 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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