SCHEMBL22268200

SCHEMBL22268200

COc1cc(Cl)c(C)cc1NCC(=O)N1CCN(C/C=C/C(=O)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ HTR1D P28221 1/20 0.43
▸ HTR1B P28222 1/20 0.43
▸ MAPK1 P28482 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ ALDH1A1 P00352 5/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ LMNA P02545 4/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MAPT P10636 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38

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
SCHEMBL16112967 0.89 KRAS (0.49) GAAHTR1AHTR1DHTR1BMAPK1
SCHEMBL16112968 0.89 KRAS (0.49) GAAHTR1AHTR1DHTR1BMAPK1
SCHEMBL25936148 0.81 KRAS (0.55) GAAHTR1AHTR1DHTR1BALDH1A1
SCHEMBL16144079 0.81 KRAS (0.48) GAAMAPK1USP2ALDH1A1SMN1; SMN2
SCHEMBL16144129 0.81 KRAS (0.46) GAAMAPK1USP2ALDH1A1SMN1; SMN2
SCHEMBL19997011 0.79 GAA (0.43) GAAALDH1A1SMN1; SMN2POLBLMNA
SCHEMBL22550951 0.76 KRAS (0.66) GAAALDH1A1SMN1; SMN2POLBLMNA
SCHEMBL21401576 0.74 GAA (0.44) GAAALDH1A1SMN1; SMN2L3MBTL1POLB
SCHEMBL15337756 0.73 KRAS (0.60) GAAPOLBKDM4ERAB9AMAPT
SCHEMBL25930494 0.73 GAA (0.44) GAAALDH1A1SMN1; SMN2POLBLMNA

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-10723753-B2 Ras inhibitors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-07-28 — — 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-10723753-B2 Ras inhibitors and uses thereof KRAS, NRAS, RASGRP1 GAA 2130/4885HTR1A 4483/4885HTR1D 4654/4885

“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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