SCHEMBL1763401

SCHEMBL1763401

N=C(N)NC(=O)c1ccc(C2CCN(C(=O)c3ccc[nH]3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.47
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 1/20 0.41
PARP10 Q53GL7 3/20 0.41
SCD O00767 1/20 0.40
SCD5 Q86SK9 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 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
SCHEMBL1763885 0.81 SLC9A1 (0.71) SLC9A1CYP3A4CYP2C19KCNH2
SCHEMBL1763096 0.81 PARP10 (0.63) SLC9A1CA12CA1CA2CA7
SCHEMBL1763744 0.78 SLC9A1 (0.64) SLC9A1CYP3A4CYP2C19
SCHEMBL1763347 0.77 CA12 (0.54) SLC9A1CA12CA1CA2CA7
SCHEMBL1764056 0.75 SCD5 (0.41) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL8506097 0.73 HDAC8 (0.59) HDAC3HDAC1HDAC11HDAC8HDAC6
Sabiporide SCHEMBL1286662 0.72 SLC9A1 (0.70) SLC9A1CA12CA1CA2CA7
Sabiporide SCHEMBL29385812 0.72 SLC9A1 (0.70) SLC9A1CA12CA1CA2CA7
SCHEMBL1727352 0.72 ATM (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
Sabiporide SCHEMBL1286645 0.72 SLC9A1 (0.69) SLC9A1CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118262-A1 Pyrrolidinyl and Piperidinyl Compounds Useful as NHE-1 Inhibitiors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-19 US disclosed
US-20110118262-A1 Pyrrolidinyl and Piperidinyl Compounds Useful as NHE-1 Inhibitiors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-19 US disclosed
US-20110118262-A1 Pyrrolidinyl and Piperidinyl Compounds Useful as NHE-1 Inhibitiors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-19 US disclosed
WO-2010005783-A1 PYRROLIDINYL AND PIPERIDINYL COMPOUNDS USEFUL AS NHE-1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-14 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 (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-20110118262-A1 Pyrrolidinyl and Piperidinyl Compounds Useful as NHE-1 Inhibitiors NHERF1, SLC9A1, SLC9A5 SLC9A1 2/4885CA12 2879/4885CA1 1186/4885

“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.