SCHEMBL5429249

SCHEMBL5429249

O=C(NCC(C(=O)NS(=O)(=O)c1cc2ccc(Cl)cc2[nH]1)c1ccccc1)c1ccc(N2CCCCC2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.45
MAPT P10636 2/20 0.45
PRMT5 O14744 1/20 0.43
LMNA P02545 3/20 0.42
ALDH1A1 P00352 5/20 0.41
HPGD P15428 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
F10 P00742 2/20 0.40
CNR1 P21554 1/20 0.39
NPC1 O15118 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.38
HAT1 O14929 2/20 0.38
EP300 Q09472 2/20 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
SCHEMBL5433231 0.88 MAPT (0.47) RAB9AMAPTPRMT5LMNAALDH1A1
SCHEMBL5427885 0.87 CYP1A2 (0.47) RAB9AMAPTLMNACYP1A2CYP2D6
SCHEMBL5429149 0.85 MAPT (0.54) RAB9AMAPTPRMT5LMNAALDH1A1
SCHEMBL5440666 0.84 F10 (0.49) F10CNR1
SCHEMBL5427267 0.84 MAPT (0.51) RAB9AMAPTLMNAALDH1A1HPGD
SCHEMBL5439007 0.83 MAPT (0.50) RAB9AMAPTLMNAALDH1A1CYP1A2
SCHEMBL5440591 0.81 MAPT (0.42) RAB9AMAPTLMNAALDH1A1CYP1A2
SCHEMBL5439102 0.81 F10 (0.49) RAB9AMAPTPRMT5LMNAALDH1A1
SCHEMBL5440830 0.81 F10 (0.39) LMNASMN1; SMN2F10CNR1
SCHEMBL5429198 0.81 MAPT (0.47) RAB9AMAPTLMNAALDH1A1HPGD

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-20070129361-A1 LACTAM-CONTAINING DIAMINOALKYL, Beta-AMINOACIDS, Alpha-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-07 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-20070129361-A1 LACTAM-CONTAINING DIAMINOALKYL, Beta-AMINOACIDS, Alpha-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS PEPD, XPNPEP1, METAP1 RAB9A 2047/4885MAPT 4212/4885PRMT5 1189/4885

“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.