SCHEMBL6822196

SCHEMBL6822196

Nc1ccc(C(=O)N2CCCC2)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
HPGD P15428 6/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
TSHR P16473 2/20 0.45
POLB P06746 3/20 0.44
LMNA P02545 1/20 0.44
USP2 O75604 1/20 0.44
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
MLYCD O95822 1/20 0.43
CRBN Q96SW2 1/20 0.43
GBA1 P04062 1/20 0.42
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTR2B P41595 1/20 0.41
MAPK14 Q16539 1/20 0.41
MAPT P10636 2/20 0.41
THRB P10828 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL10155940 0.98 HPGD (0.48) KDM4EHPGDMEN1KMT2ATSHR
SCHEMBL24565654 0.88 EPHX2 (0.45) KDM4EHPGDMEN1KMT2ATSHR
SCHEMBL3402135 0.87 NR1H2 (0.52) MEN1KMT2ATSHRLMNAALOX15
SCHEMBL4287349 0.87 EPHX2 (0.48) KDM4EHPGDTSHRMLYCDMAPT
SCHEMBL29959110 0.87 NR1H2 (0.52) MEN1KMT2ATSHRLMNAALOX15
SCHEMBL24566019 0.86 CRBN (0.42) TSHRPOLBGLAGAACRBN
SCHEMBL24566936 0.85 PIK3CA (0.48) KDM4EHPGDMEN1KMT2A
SCHEMBL24566097 0.84 HDAC3 (0.40) TSHRPOLBUSP2GLAGAA
SCHEMBL16047564 0.84 PIK3CA (0.51) KDM4EHPGDMEN1KMT2ALMNA
SCHEMBL31316989 0.84 PIK3CA (0.51) KDM4EHPGDMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040077729-A1 New carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-04-22 US disclosed
WO-2004013115-A2 CARBOXAMIDES, PRODUCTION AND USE THEREOF AS MEDICAMENTS____ BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-02-12 WO disclosed
EP-1360170-A1 CARBOXYLIC AMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-11-12 EP disclosed
US-20020151595-A1 Carboxylic acid amides having antithrombotic activity BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-10-17 US disclosed
WO-2002062748-A1 CARBOXYLIC AMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-08-15 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-20040077729-A1 New carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions F2, F11, F12 KDM4E 2263/4885HPGD 664/4885MEN1 2262/4885
US-20020151595-A1 Carboxylic acid amides having antithrombotic activity SERPINC1, TFPI, F2 KDM4E 1146/4885HPGD 1175/4885MEN1 2915/4885

“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.