SCHEMBL5099637

SCHEMBL5099637

N=C(N)c1cccc(C(=O)NCc2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 3/20 0.67
EPHX2 P34913 2/20 0.65
NR1H4 Q96RI1 2/20 0.65
F10 P00742 4/20 0.61
CFD P00746 1/20 0.60
PRSS1 P07477 4/20 0.60
F2 P00734 2/20 0.60
HDAC2 Q92769 2/20 0.59
HDAC8 Q9BY41 2/20 0.59
HDAC6 Q9UBN7 2/20 0.59
HDAC1 Q13547 2/20 0.58
HDAC3 O15379 1/20 0.58
HDAC4 P56524 1/20 0.58
HDAC7 Q8WUI4 1/20 0.58
HDAC10 Q969S8 1/20 0.58
HDAC11 Q96DB2 1/20 0.58
HDAC9 Q9UKV0 1/20 0.58
HDAC5 Q9UQL6 1/20 0.58
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55

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
SCHEMBL15606136 0.91 EPHX2 (0.76) KLKB1EPHX2NR1H4F10CFD
Hydrochloric Acid SCHEMBL15556614 0.90 EPHX2 (0.74) KLKB1EPHX2NR1H4F10CFD
Hydrochloric Acid SCHEMBL5093176 0.85 HDAC8 (0.58) KLKB1EPHX2NR1H4F10CFD
Hydrochloric Acid SCHEMBL5094385 0.85 PRSS1 (0.57) KLKB1EPHX2NR1H4F10PRSS1
SCHEMBL7373439 0.84 PPARG (0.70) KLKB1EPHX2NR1H4F10CFD
SCHEMBL7606673 0.83 EPHX2 (0.68) KLKB1EPHX2NR1H4CFDHDAC2
SCHEMBL27659355 0.82 CFD (0.82) KLKB1EPHX2NR1H4CFDHDAC2
Hydrochloric Acid SCHEMBL5089037 0.82 NPC1 (0.65) F10PRSS1F2HDAC2HDAC8
SCHEMBL7983619 0.82 F10 (0.57) KLKB1F10PRSS1F2HDAC2
SCHEMBL15555680 0.81 AURKA (0.65) KLKB1EPHX2NR1H4CFD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7425641-B2 Carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2008-09-16 US disclosed
US-20050065346-A1 Carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-03-24 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-20050065346-A1 Carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions F12, F11, F2 KLKB1 1817/4885EPHX2 683/4885NR1H4 701/4885

“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.