SCHEMBL18924652

SCHEMBL18924652

CCC(C)c1ccc(N2CCCC2)nc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 2/20 0.46
MAPT P10636 3/20 0.45
LMNA P02545 2/20 0.45
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
UBE2T Q9NPD8 1/20 0.43
ALOX12 P18054 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
PDE4A P27815 1/20 0.41
CNR2 P34972 3/20 0.40
OGA O60502 2/20 0.40
KIT P10721 1/20 0.39
SMO Q99835 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
SCHEMBL18930172 0.98 MEN1 (0.47) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL11990181 0.89 KMT2A (0.46) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL11990209 0.88 KMT2A (0.49) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL11990130 0.88 KMT2A (0.49) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL14238591 0.88 KMT2A (0.49) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL14375620 0.86 MEN1 (0.45) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL22792340 0.86 ALDH1A1 (0.50) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL14239253 0.86 KDM4E (0.50) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL14217497 0.86 ALDH1A1 (0.50) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL14239245 0.86 MEN1 (0.48) MEN1KMT2AMAPTLMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230043159-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF DISC MEDICINE, INC. 2023-02-09 US disclosed
US-20190330200-A1 N-((HET)ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS KALLIKREIN INHIBITORS DRI UK LP (KY) 2019-10-31 US disclosed
US-9670157-B2 Benzylamine derivatives KALVISTA PHARMACEUTICALS LIMITED (GB) 2017-06-06 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 (2 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-20230043159-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF MMP7, MATR3, SPINT2 MEN1 772/4885KMT2A 1072/4885ALDH1A1 3877/4885
US-20190330200-A1 N-((HET)ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS KALLIKREIN INHIBITORS KLKB1, BDKRB1, BDKRB2 MEN1 826/4885KMT2A 430/4885ALDH1A1 3143/4885

“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.