SCHEMBL25804345

SCHEMBL25804345

CC(C)(C#Cc1ccc(Cl)c(Cl)c1)NC(=O)N1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 1/20 0.39
▸ TMEM97 Q5BJF2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PYGL P06737 1/20 0.36
▸ POLB P06746 2/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.35
▸ SSTR4 P31391 1/20 0.35
▸ CCR2 P41597 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ HPGD P15428 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ TP53 P04637 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
Hydrochloric Acid SCHEMBL30354187 0.99 ADRB1 (0.38) ADRB1TMEM97MEN1NPC1RAB9A
SCHEMBL21183964 0.84 ERBB2 (0.36) MEN1NPC1RAB9AKMT2APYGL
SCHEMBL21184087 0.83 MEN1 (0.48) MEN1NPC1RAB9AKMT2APOLB
SCHEMBL21184105 0.77 HRH3 (0.39) ADRB1MEN1NPC1RAB9AKMT2A
SCHEMBL21184095 0.77 MEN1 (0.37) ADRB1MEN1NPC1RAB9AKMT2A
Hydrochloric Acid SCHEMBL31233470 0.76 SLC6A2 (0.39) ADRB1MEN1NPC1RAB9AKMT2A
SCHEMBL21184115 0.76 HRH3 (0.38) ADRB1MEN1NPC1RAB9AKMT2A
Hydrochloric Acid SCHEMBL30354233 0.76 POLB (0.38) ADRB1MEN1NPC1RAB9AKMT2A
Hydrochloric Acid SCHEMBL21177802 0.76 POLB (0.38) ADRB1MEN1NPC1RAB9AKMT2A
Hydrochloric Acid SCHEMBL21178009 0.76 SLC6A2 (0.39) ADRB1MEN1NPC1RAB9AKMT2A

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-20230210847-A1 Substituted Alkynylene Compounds As Anticancer Agents AURIGENE ONCOLOGY LTD (IN) 2023-07-06 — — 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-20230210847-A1 Substituted Alkynylene Compounds As Anticancer Agents MCL1, ROS1, MKI67 ADRB1 2509/4885TMEM97 2002/4885MEN1 1649/4885

“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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