SCHEMBL5100663

SCHEMBL5100663

NC(c1ccccc1)c1nc2ccc(Cl)cc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
HPGD P15428 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
TP53 P04637 1/20 0.54
CYP3A4 P08684 1/20 0.54
MAPT P10636 1/20 0.54
MAPK1 P28482 1/20 0.54
KMT2A Q03164 1/20 0.54
HSD17B10 Q99714 1/20 0.54
FTO Q9C0B1 1/20 0.54
HTR3E A5X5Y0 1/20 0.51
HTR3B O95264 1/20 0.51
HTR3A P46098 1/20 0.51
BACE1 P56817 1/20 0.51
HTR3D Q70Z44 1/20 0.51
HTR3C Q8WXA8 1/20 0.51
CYP1A2 P05177 1/20 0.48
RAB9A P51151 1/20 0.47
METAP2 P50579 1/20 0.46

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
SCHEMBL586819 0.88 GAA (0.46) ALDH1A1HPGDKDM4EMEN1TP53
SCHEMBL4826538 0.88 GAA (0.46) ALDH1A1HPGDKDM4EMEN1TP53
SCHEMBL16332787 0.80 ROCK2 (0.39) ALDH1A1KDM4EHSD17B10RAB9AGAA
SCHEMBL5097077 0.79 ROCK2 (0.49) ALDH1A1KDM4EHTR3EHTR3BHTR3A
SCHEMBL5100681 0.78 ALDH1A1 (0.57) ALDH1A1HPGDKDM4EMEN1TP53
SCHEMBL580877 0.78 ALDH1A1 (0.57) ALDH1A1HPGDKDM4EMEN1TP53
SCHEMBL4150274 0.78 ROCK2 (0.52) KDM4ECYP3A4HSD17B10HTR3EHTR3B
SCHEMBL24074252 0.78 CBFB (0.44) ALDH1A1HPGDKDM4ECYP3A4HSD17B10
SCHEMBL11740622 0.74 ALDH1A1 (0.61) ALDH1A1HPGDKDM4EMEN1TP53
SCHEMBL586656 0.74 CYP19A1 (0.46) ALDH1A1HPGDKDM4EMAPTCYP1A2

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-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-06-05 US disclosed
US-7326791-B2 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-02-05 US disclosed
US-20040220169-A1 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-11-04 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-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 ALDH1A1 328/4885HPGD 1396/4885KDM4E 3826/4885
US-20040220169-A1 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions F12, F11, F2 ALDH1A1 143/4885HPGD 1671/4885KDM4E 3992/4885

“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.