SCHEMBL6370559

SCHEMBL6370559

Nc1cc(C(=O)N(CC(=O)O)c2ccccc2)ccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 3/20 0.51
KDM4E B2RXH2 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
ADRA2C P18825 1/20 0.44
BACE1 P56817 1/20 0.44
HPGD P15428 2/20 0.44
F2 P00734 3/20 0.42
PRSS12 P56730 1/20 0.41
TP53 P04637 1/20 0.40
MGAM O43451 1/20 0.40
AMY1A P0DUB6 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
LMNA P02545 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39

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
SCHEMBL6217687 0.83 PRSS12 (0.38) KMT2AALDH1A1MEN1KDM4ESMN1; SMN2
SCHEMBL10660695 0.79 BACE1 (0.52) KMT2AALDH1A1MEN1SMN1; SMN2ADRA2C
SCHEMBL9716701 0.79 ADRA2C (0.55) KMT2AALDH1A1MEN1KDM4EADRA2C
SCHEMBL6217640 0.79 HPGD (0.59) KMT2AALDH1A1MEN1KDM4ESMN1; SMN2
SCHEMBL3110778 0.78 ALDH1A1 (0.64) KMT2AALDH1A1MEN1KDM4ESMN1; SMN2
SCHEMBL698882 0.77 ADRA2C (0.64) KMT2AALDH1A1MEN1SMN1; SMN2ADRA2C
SCHEMBL6371253 0.77 F2 (0.35) KMT2AALDH1A1MEN1KDM4ESMN1; SMN2
SCHEMBL7403972 0.75 PLAU (0.44) KMT2AALDH1A1MEN1SMN1; SMN2ADRA2C
SCHEMBL9716677 0.74 ADRA2C (0.53) KMT2AALDH1A1MEN1ADRA2CHPGD
SCHEMBL11503382 0.74 ADRA2C (0.49) KMT2AALDH1A1MEN1KDM4EADRA2C

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6855715-B1 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-02-15 US disclosed
US-20050032790-A1 For example, 1-(2-Amino-4-chlorobenzoyl-D-phenylglycinyl)-4,4'-bispiperidine; for treatment of thrombosis, emphysema, cirrhosis; antiarthritic agents, anticancer agents, antihistamines LIEBESCHUETZ JOHN WALTER (GB) 2005-02-10 US disclosed
EP-1192135-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2002-04-03 EP disclosed
EP-1192132-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2002-04-03 EP disclosed
WO-2000076970-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2000-12-21 WO disclosed
WO-2000076971-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2000-12-21 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-20050032790-A1 For example, 1-(2-Amino-4-chlorobenzoyl-D-phenylglycinyl)-4,4'-bispiperidine; for treatment of thrombosis, emphysema, cirrhosis; antiarthritic agents, anticancer agents, antihistamines SERPINB1, SERPINE1, SERPINH1 KMT2A 2126/4885ALDH1A1 2527/4885MEN1 3229/4885

“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.