SCHEMBL13148199

SCHEMBL13148199

O=C(c1ccccc1)N1CCN(C(=S)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
P2RX1 P51575 1/20 0.57
LMNA P02545 4/20 0.54
POLB P06746 2/20 0.54
KDM4E B2RXH2 1/20 0.54
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
RHOC P08134 1/20 0.53
RHOA P61586 1/20 0.53
PHGDH O43175 2/20 0.53
XBP1 P17861 1/20 0.52
USP2 O75604 1/20 0.52
CYP2C9 P11712 1/20 0.52
PKM P14618 1/20 0.51
MAPK10 P53779 1/20 0.51
PRKAB2 O43741 1/20 0.50
PRKAG1 P54619 1/20 0.50
PRKAA2 P54646 1/20 0.50
PRKAA1 Q13131 1/20 0.50

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
SCHEMBL13148217 0.89 ALDH1A1 (0.66) ALDH1A1KMT2APHGDHPKMPRKAB2
SCHEMBL13148215 0.82 ALDH1A1 (0.61) ALDH1A1LMNAPOLBKMT2AMEN1
SCHEMBL13148180 0.81 KMT2A (0.68) ALDH1A1LMNAPOLBKMT2AMEN1
SCHEMBL13148206 0.81 ALDH1A1 (0.62) ALDH1A1LMNAPOLBKDM4EKMT2A
SCHEMBL19357207 0.79 GAA (0.64) ALDH1A1LMNAKDM4EKMT2AMEN1
SCHEMBL17266617 0.77 KMT2A (0.74) ALDH1A1LMNAPOLBKMT2AMEN1
SCHEMBL3080673 0.76 ALDH1A1 (0.74) ALDH1A1LMNAPOLBKDM4EKMT2A
SCHEMBL3086858 0.73 ALDH1A1 (0.77) ALDH1A1LMNAPOLBKDM4EKMT2A
SCHEMBL4270479 0.73 L3MBTL1 (0.80) ALDH1A1LMNAL3MBTL1USP2
SCHEMBL23447713 0.73 P2RX1 (1.00) P2RX1LMNAMAPT

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-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2010-09-16 US disclosed
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2010-09-16 US disclosed
WO-2008122787-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2008-10-16 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-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE HPGDS, PTGDR, PTGIS ALDH1A1 614/4885P2RX1 50/4885LMNA 1934/4885

“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.