SCHEMBL13148162

SCHEMBL13148162

O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1CCN(C(=O)c2ccco2)CC1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.77
LYPLA1 O75608 1/20 0.77
SMN1; SMN2 Q16637 1/20 0.77
POLB P06746 3/20 0.59
KMT2A Q03164 2/20 0.58
GAA P10253 1/20 0.56
LMNA P02545 1/20 0.55
KDM4E B2RXH2 1/20 0.53
HSD17B10 Q99714 3/20 0.52
USP2 O75604 2/20 0.52
ALOX15 P16050 1/20 0.52
EPHX2 P34913 1/20 0.52
TSHR P16473 3/20 0.51
HPGD P15428 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CYP2C19 P33261 3/20 0.50
CYP3A4 P08684 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL13148174 0.90 ALDH1A1 (0.74) ALDH1A1LYPLA1SMN1; SMN2POLBKMT2A
SCHEMBL25692822 0.87 ALDH1A1 (1.00) ALDH1A1LYPLA1SMN1; SMN2POLBKMT2A
SCHEMBL13148175 0.83 KMT2A (0.60) ALDH1A1LYPLA1SMN1; SMN2POLBKMT2A
SCHEMBL13148192 0.82 ALDH1A1 (0.59) ALDH1A1LYPLA1SMN1; SMN2POLBKMT2A
SCHEMBL3751466 0.78 ALDH1A1 (0.57) ALDH1A1LYPLA1SMN1; SMN2POLBKMT2A
SCHEMBL13148164 0.77 KMT2A (0.71) ALDH1A1SMN1; SMN2POLBKMT2AGAA
SCHEMBL8298095 0.76 ALDH1A1 (0.58) ALDH1A1POLBKMT2ALMNAKDM4E
SCHEMBL13148180 0.75 KMT2A (0.68) ALDH1A1LYPLA1SMN1; SMN2POLBKMT2A
SCHEMBL27828442 0.73 ALDH1A1 (0.52) ALDH1A1LYPLA1SMN1; SMN2POLBKMT2A
SCHEMBL16690853 0.72 ALDH1A1 (0.81) ALDH1A1SMN1; SMN2KMT2AKDM4EHSD17B10

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-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

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 614/4885LYPLA1 2723/4885SMN1; SMN2 1866/4885

“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.