SCHEMBL7141741

SCHEMBL7141741

CNCC(=O)Nc1cccc(F)c1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.72
MEN1 O00255 5/20 0.72
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
TSHR P16473 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.55
ALDH1A1 P00352 2/20 0.55
LMNA P02545 1/20 0.53
RAB9A P51151 2/20 0.53
HPGD P15428 2/20 0.53
NPC1 O15118 1/20 0.53
FUCA1 P04066 1/20 0.52
MAPT P10636 2/20 0.51
GAA P10253 1/20 0.51
KDM4E B2RXH2 1/20 0.50
GLA P06280 1/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL4635044 0.85 KMT2A (0.74) KMT2AMEN1TSHRSMN1; SMN2ALDH1A1
SCHEMBL14817532 0.83 KMT2A (0.83) KMT2AMEN1TSHRSMN1; SMN2ALDH1A1
SCHEMBL2608527 0.83 KMT2A (0.77) KMT2AMEN1TSHRSMN1; SMN2ALDH1A1
SCHEMBL7142758 0.82 CA1 (0.47) KMT2AMEN1CA1CA2ALDH1A1
SCHEMBL5437154 0.81 KMT2A (0.80) KMT2AMEN1TSHRSMN1; SMN2ALDH1A1
SCHEMBL7968814 0.81 MEN1 (0.79) KMT2AMEN1TSHRSMN1; SMN2ALDH1A1
SCHEMBL7647093 0.81 MEN1 (0.79) KMT2AMEN1TSHRSMN1; SMN2ALDH1A1
SCHEMBL7141734 0.81 MEN1 (0.68) KMT2AMEN1TSHRSMN1; SMN2ALDH1A1
SCHEMBL8088822 0.80 MEN1 (0.72) KMT2AMEN1SMN1; SMN2ALDH1A1HPGD
SCHEMBL7362634 0.80 CA1 (0.60) KMT2AMEN1CA1CA2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1303485-A1 PYRROLIDINE DERIVATIVES AS INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 EP disclosed
US-6541638-B2 (2S,4S)-1-(4-Mercapto-1-(naphthalene-2-sulfonyl)-pyrrolidine-2 -carbonyl)-piperidine-4-carboxylic acid ethyl ester for example; zinc protease inhibitors; for treating diseases associated with vasoconstriction HOFFMAN-LA ROCHE INC. 2003-04-01 US disclosed
US-20020049243-A1 Pyrrolidine derivatives HOFFMANN-LA ROCHE INC. 2002-04-25 US disclosed
WO-2002006222-A1 PYRROLIDINE DERIVATIVES AS INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME F. HOFFMANN-LA ROCHE AG (CH) 2002-01-24 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-20020049243-A1 Pyrrolidine derivatives PREP, PEPD, DNPEP KMT2A 1971/4885MEN1 2985/4885CA1 551/4885

“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.