SCHEMBL25804391

SCHEMBL25804391

C#Cc1cc(C#CC2(NC(=O)N3CCN(C(=O)C(F)(F)F)CC3)CC2)ccc1Cl

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.34
▸ ALPL P05186 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ HSP90AB1 P08238 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ ALPG P10696 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ ALOX12 P18054 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ ENPP2 Q13822 1/20 0.30

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
SCHEMBL24090427 0.88 HIF1A (0.34) CTSSKDM4EALDH1A1HSP90AA1MAPT
SCHEMBL21184078 0.86 KRAS (0.37) —
SCHEMBL30354217 0.86 RXFP1 (0.35) CTSSPOLBHSP90AA1
SCHEMBL21177633 0.85 MEN1 (0.43) CTSSPOLBMAPT
SCHEMBL21184121 0.76 LMNA (0.41) LMNAPOLBMAPTALOX15SMN1; SMN2
SCHEMBL21180356 0.75 GPR183 (0.35) ALPLMAPTTDP1
SCHEMBL28479106 0.75 GPR183 (0.35) ALPLMAPTTDP1
SCHEMBL21177833 0.74 MEN1 (0.34) ALPLLMNAPOLBMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL21177399 0.74 CCR2 (0.36) ALDH1A1LMNASMN1; SMN2
SCHEMBL21184123 0.74 KMT2A (0.38) LMNAPOLBMAPTSMN1; SMN2TDP1

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 CTSS 2765/4885ALPL 3355/4885KDM4E 2414/4885

“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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