SCHEMBL21184095

SCHEMBL21184095

O=C(NC1(C#Cc2ccc(Cl)c(Cl)c2)CC1)N1CCNCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ 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
▸ ADRB1 P08588 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ SIGMAR1 Q99720 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ CCR2 P41597 2/20 0.34
▸ KCNH2 Q12809 2/20 0.34
▸ GPR142 Q7Z601 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ AKT1 P31749 1/20 0.32

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 SCHEMBL21177802 0.99 POLB (0.38) MEN1NPC1RAB9AKMT2APYGL
Hydrochloric Acid SCHEMBL30354233 0.99 POLB (0.38) MEN1NPC1RAB9AKMT2APYGL
SCHEMBL21184096 0.95 MEN1 (0.38) MEN1NPC1RAB9AKMT2APYGL
Hydrochloric Acid SCHEMBL30354202 0.94 MEN1 (0.38) MEN1NPC1RAB9AKMT2APYGL
SCHEMBL30354217 0.88 RXFP1 (0.35) POLBRXFP1EPHX2HSP90AA1HTR2C
SCHEMBL25804369 0.87 POLB (0.32) POLBRXFP1EPHX2MAPK1HSP90AA1
Hydrochloric Acid SCHEMBL30354228 0.86 POLB (0.34) POLBRXFP1EPHX2MAPK1HSP90AA1
SCHEMBL21184121 0.86 LMNA (0.41) MEN1NPC1RAB9AKMT2APYGL
SCHEMBL21184123 0.84 KMT2A (0.38) MEN1NPC1RAB9AKMT2APYGL
Hydrochloric Acid SCHEMBL21177399 0.84 CCR2 (0.36) MEN1NPC1RAB9AKMT2APYGL

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-20230210847-A1 Substituted Alkynylene Compounds As Anticancer Agents AURIGENE ONCOLOGY LTD (IN) 2023-07-06 — — US disclosed
WO-2019142126-A1 SUBSTITUTED ALKYNYLENE COMPOUNDS AS ANTICANCER AGENTS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2019-07-25 — — WO 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 MEN1 1649/4885NPC1 86/4885RAB9A 1525/4885

“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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