SCHEMBL12371426

SCHEMBL12371426

CN1CCc2ccc(NC(=O)[C@H]3C[C@@H](O)CN3C(=O)Nc3ccc(Br)cc3)cc2CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
F10 P00742 2/20 0.46
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 2/20 0.42
KLKB1 P03952 2/20 0.42
POLB P06746 2/20 0.42
MELK Q14680 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
DUSP3 P51452 1/20 0.38
PTPN5 P54829 1/20 0.38
PTPN11 Q06124 1/20 0.38
APOBEC3G Q9HC16 1/20 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
SCHEMBL8471194 1.00 MEN1 (0.53) MEN1KMT2AF10NPC1RAB9A
SCHEMBL12101338 0.97 MEN1 (0.50) MEN1KMT2AF10NPC1RAB9A
SCHEMBL12371429 0.92 KDM4E (0.50) MEN1KMT2AF10NPC1RAB9A
SCHEMBL12371425 0.90 F10 (0.57) MEN1KMT2AF10KLKB1POLB
SCHEMBL8470830 0.90 F10 (0.57) MEN1KMT2AF10KLKB1POLB
SCHEMBL12371474 0.87 RAB9A (0.40) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL12371476 0.85 NPC1 (0.39) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL12371475 0.85 NPC1 (0.39) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL8222128 0.85 F10 (0.43) MEN1KMT2AF10NPC1RAB9A
SCHEMBL12101392 0.85 F10 (0.43) MEN1KMT2AF10NPC1RAB9A

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
US-8003639-B2 Substituted prolinamides, the preparation thereof and the use thereof as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-23 US disclosed
US-8003639-B2 Substituted prolinamides, the preparation thereof and the use thereof as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-23 US disclosed
US-20090048231-A1 SUBSTITUTED PROLINAMIDES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 US disclosed
US-20090048231-A1 SUBSTITUTED PROLINAMIDES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 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-20090048231-A1 SUBSTITUTED PROLINAMIDES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS PREP, P4HA1, PPID MEN1 653/4885KMT2A 3794/4885F10 1628/4885

“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.