SCHEMBL25804233

SCHEMBL25804233

C/C=C/C(=O)N1CCN(C(=O)NC2(C#Cc3ccc(Cl)c(Cl)c3)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GPR183 P32249 6/20 0.37
▸ RAB9A P51151 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MAPT P10636 4/20 0.34
▸ SMN1; SMN2 Q16637 4/20 0.34
▸ TP53 P04637 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ PYGL P06737 1/20 0.33
▸ PANK3 Q9H999 1/20 0.33
▸ GPX4 P36969 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ CCR2 P41597 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31

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
SCHEMBL29266462 0.89 GPR183 (0.36) GPR183RAB9ANPC1TDP1MEN1
SCHEMBL21184123 0.88 KMT2A (0.38) GPR183RAB9ANPC1TDP1MEN1
SCHEMBL28479106 0.87 GPR183 (0.35) GPR183RAB9ANPC1TDP1MEN1
SCHEMBL21180356 0.87 GPR183 (0.35) GPR183RAB9ANPC1TDP1MEN1
SCHEMBL21184121 0.86 LMNA (0.41) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL21183978 0.84 KMT2A (0.37) GPR183RAB9ANPC1TDP1MEN1
SCHEMBL28481475 0.82 HRH3 (0.35) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL21182293 0.82 LMNA (0.35) GPR183RAB9ANPC1MEN1KMT2A
SCHEMBL21184095 0.81 MEN1 (0.37) RAB9ANPC1MEN1KMT2APOLB
Hydrochloric Acid SCHEMBL21177802 0.81 POLB (0.38) RAB9ANPC1MEN1KMT2APOLB

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 GPR183 2228/4885RAB9A 1525/4885NPC1 86/4885

“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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