SCHEMBL2534870

SCHEMBL2534870

COc1cc(Cl)nc2ccc(F)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
POLB P06746 1/20 0.45
PLA2G2A P14555 2/20 0.44
AMY1A P0DUB6 4/20 0.44
PDE10A Q9Y233 1/20 0.44
NPC1 O15118 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
GAK O14976 1/20 0.41
IGF1R P08069 1/20 0.40
PKM P14618 1/20 0.40
DHODH Q02127 1/20 0.39
HSP90AA1 P07900 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
SCHEMBL2533905 0.83 IGF1R (0.51) ALDH1A1MAPTPOLBPLA2G2AAMY1A
SCHEMBL27301571 0.82 S1PR2 (0.43) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL2534913 0.81 LMNA (0.50) ALDH1A1MAPTPOLBNPC1KDM4E
SCHEMBL7693996 0.81 KDM4E (0.51) ALDH1A1PLA2G2AAMY1APDE10AKDM4E
SCHEMBL2539829 0.81 KDM4E (0.60) ALDH1A1MAPTPOLBNPC1KDM4E
SCHEMBL26317683 0.78 PDE10A (0.53) PLA2G2AAMY1APDE10AKDM4EMEN1
SCHEMBL2534941 0.77 KDM4E (0.62) ALDH1A1MAPTKDM4EDHODHCYP3A4
SCHEMBL2539705 0.77 HPGD (0.62) ALDH1A1MAPTPOLBNPC1KDM4E
SCHEMBL5433753 0.77 NT5E (0.46) KDM4EESR1ESR2DHODHCYP3A4
SCHEMBL29875500 0.77 NT5E (0.46) KDM4EESR1ESR2DHODHCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044068-B2 Aminopyrrolidine compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-10-25 US disclosed
US-20090291940-A1 AMINOPYRROLIDINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 US disclosed
EP-2003131-A1 AMINOPYRROLIDINE COMPOUND Taisho Pharmaceutical Co. Ltd. (JP) 2008-12-17 EP disclosed
US-20070185079-A1 Therapeutic agents I ASTRAZENECA AB (SE) 2007-08-09 US disclosed
CN-1906169-A Therapeutic agents I ASTRAZENECA AB (SE) 2007-01-31 CN disclosed
EP-1706384-A1 THERAPEUTIC AGENTS I AstraZeneca AB (SE) 2006-10-04 EP disclosed
WO-2005066132-A1 THERAPEUTIC AGENTS I ASTRAZENECA AB (SE) 2005-07-21 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 (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-20090291940-A1 AMINOPYRROLIDINE COMPOUND MC4R, MC5R, MC2R ALDH1A1 2275/4885MAPT 3429/4885POLB 3362/4885
US-20070185079-A1 Therapeutic agents I HTT, GRIN2A, GRIN1 ALDH1A1 1661/4885MAPT 35/4885POLB 1847/4885

“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.