SCHEMBL1316802

SCHEMBL1316802

Fc1ccccc1-c1c[c]cnc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
TRPA1 O75762 1/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
IDO1 P14902 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
PTPRC P08575 1/20 0.36
PTPN1 P18031 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
PKM P14618 2/20 0.35
KMT2A Q03164 2/20 0.35
BACE1 P56817 1/20 0.35

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
SCHEMBL2752154 0.86 BCAT1 (0.39) CYP11B1CYP11B2BACE1MAPT
SCHEMBL27889149 0.83 CYP11B1 (0.32) CYP11B1CYP11B2
SCHEMBL2751843 0.79 TTR (0.35) TRPA1NPC1RAB9AALOX5APFEN1
SCHEMBL1202418 0.79 TTR (0.36) CYP11B1CYP11B2ALDH1A1KDM4EHPGD
SCHEMBL2753972 0.79 CYP11B1 (0.38) CYP11B1CYP11B2IDO1PTPN1L3MBTL1
SCHEMBL4167128 0.78 CYP2A6 (0.47) TRPA1NPC1RAB9AIDO1SMN1; SMN2
SCHEMBL28101882 0.78 ALDH1A1 (0.47) NPC1RAB9ATDP1IDO1SMN1; SMN2
SCHEMBL3732177 0.78 NPC1 (0.39) TRPA1NPC1RAB9AIDO1SMN1; SMN2
SCHEMBL28108348 0.75 TNF (0.45) CYP11B1CYP11B2NPC1RAB9ATDP1
SCHEMBL19332089 0.74 ATM (0.50) CYP11B1CYP11B2TRPA1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 US claimed
CN-101970435-A Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2011-02-09 CN claimed
EP-2242756-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES Novartis AG (CH) 2010-10-27 EP claimed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 US claimed
WO-2009087225-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES NOVARTIS AG (CH) 2009-07-16 WO claimed
US-8492582-B2 N-acyl anthranilic acid derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2013-07-23 US disclosed
US-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 US disclosed
US-20110275797-A1 N-ACYL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2011-11-10 US disclosed
EP-2385036-A1 N-ACYL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF Toyama Chemical Co., Ltd. (JP) 2011-11-09 EP disclosed
CN-101970435-A Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2011-02-09 CN disclosed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 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-20110275797-A1 N-ACYL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF COL14A1, COL2A1, COL1A1 CYP11B1 739/4885CYP11B2 833/4885TRPA1 4791/4885
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines ALK, ACVR1, PTPN4 CYP11B1 1713/4885CYP11B2 1994/4885TRPA1 1301/4885

“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.