SCHEMBL4998745

SCHEMBL4998745

CN(Cc1c[nH]c(-c2cccnc2Cl)c1F)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DHODH Q02127 3/20 0.34
ITGB2 P05107 1/20 0.34
ICAM1 P05362 1/20 0.34
ITGAL P20701 1/20 0.34
FFAR4 Q5NUL3 1/20 0.33
ALDH1A1 P00352 3/20 0.33
APOBEC3A P31941 1/20 0.33
CDK4 P11802 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NAPRT Q6XQN6 1/20 0.33
FAAH O00519 3/20 0.32
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
TACR1 P25103 1/20 0.32
CDC7 O00311 1/20 0.32
ROCK2 O75116 1/20 0.32
PIM1 P11309 1/20 0.32
PRKACA P17612 1/20 0.32

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
SCHEMBL2194154 0.89 NAPRT (0.38) LMNADHODHFFAR4ALDH1A1CDK4
SCHEMBL2416412 0.85 DHODH (0.32) LMNASMN1; SMN2DHODHITGB2ICAM1
SCHEMBL2409140 0.85 POLB (0.36) TACR1
SCHEMBL4416056 0.84 TACR1 (0.36) LMNADHODHFFAR4ALDH1A1CDK4
SCHEMBL5006157 0.83 PLCG1 (0.34) LMNAFFAR4ALDH1A1CDK4KDM4E
SCHEMBL4998747 0.78 PTGS2 (0.44) ITGB2ICAM1ITGALCDK4GSK3B
SCHEMBL2409138 0.75 ITGB2 (0.41) LMNASMN1; SMN2DHODHITGB2ICAM1
SCHEMBL1830980 0.74 NAPRT (0.33) DHODHFFAR4NAPRTROCK2MTNR1A
SCHEMBL1830977 0.74 SSTR4 (0.38) TACR1
SCHEMBL2413249 0.73 GAA (0.43) LMNASMN1; SMN2ALDH1A1KDM4EMAPT

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
EP-2114917-B1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2016-08-10 EP disclosed
US-8933105-B2 Pyrrole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-01-13 US disclosed
US-20080262042-A1 1-[5-(2-Fluoropyridin-3-yl)-1-(phenylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine or a salt thereof; acid secretion inhibitor; potassium-competitive acid blocker TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-23 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-20080262042-A1 1-[5-(2-Fluoropyridin-3-yl)-1-(phenylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine or a salt thereof; acid secretion inhibitor; potassium-competitive acid blocker REN, HRH2, ATP4A LMNA 3758/4885SMN1; SMN2 3936/4885DHODH 3338/4885

“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.