SCHEMBL26098577

SCHEMBL26098577

O=C(NCCC1CCCCC1)c1cc(Cl)ccc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.59
ALDH1A1 P00352 1/20 0.54
GAA P10253 1/20 0.54
HPGD P15428 1/20 0.54
SENP1 Q9P0U3 1/20 0.54
CHRM1 P11229 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
P2RX1 P51575 3/20 0.49
TMPRSS4 Q9NRS4 3/20 0.49
NPC1 O15118 3/20 0.48
PTGS1 P23219 1/20 0.47
RAB9A P51151 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KCNMA1 Q12791 1/20 0.47
P2RX4 Q99571 1/20 0.46
P2RX7 Q99572 1/20 0.46
LDLR P01130 1/20 0.46
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
ADAMTS4 O75173 1/20 0.45

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
SCHEMBL23675404 0.86 NPC1 (0.64) CDK1ALDH1A1GAAHPGDSENP1
SCHEMBL23675423 0.79 NPC1 (0.63) ALDH1A1GAAHPGDSENP1P2RX1
SCHEMBL26096785 0.79 NPC1 (0.63) ALDH1A1GAAHPGDSENP1P2RX1
SCHEMBL23675401 0.77 NPC1 (0.60) CDK1ALDH1A1GAAHPGDSENP1
SCHEMBL8980687 0.77 CDK1 (0.82) CDK1ALDH1A1HPGDTDP1P2RX1
SCHEMBL3455872 0.77 RAB9A (0.55) HPGDCHRM1TDP1NPC1RAB9A
Ethylenediamine SCHEMBL1543210 0.75 CDK1 (0.68) CDK1TDP1P2RX1TMPRSS4PTGS1
SCHEMBL1114775 0.75 CDK1 (0.68) CDK1HPGDCHRM1TDP1P2RX1
SCHEMBL4748888 0.74 ALDH1A1 (0.62) CDK1ALDH1A1GAAHPGDSENP1
SCHEMBL26098051 0.74 CNR2 (0.53) CDK1CHRM1CNR1CNR2

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-20230140290-A1 SALICYLAMIDE DERIVATIVES AND RELATED METHODS OF MAKING THE BOARD OF REGENTS OF THE UNIV OF TEXAS SY (US) 2023-05-04 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-20230140290-A1 SALICYLAMIDE DERIVATIVES AND RELATED METHODS OF MAKING EIF2AK2, SARS1, ACE CDK1 3435/4885ALDH1A1 770/4885GAA 561/4885

“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.