SCHEMBL17819129

SCHEMBL17819129

CNc1nnc(-c2cccc3ccccc23)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.54
KDM4E B2RXH2 7/20 0.52
ALDH1A1 P00352 6/20 0.52
NPC1 O15118 5/20 0.52
MAPT P10636 5/20 0.52
RAB9A P51151 5/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
HSD17B10 Q99714 4/20 0.52
HPGD P15428 4/20 0.52
TP53 P04637 3/20 0.52
MEN1 O00255 1/20 0.52
ALPL P05186 1/20 0.52
ALPI P09923 1/20 0.52
ALPG P10696 1/20 0.52
TSHR P16473 1/20 0.52
CASP1 P29466 1/20 0.52
CASP7 P55210 1/20 0.52
KMT2A Q03164 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52

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
SCHEMBL251035 0.84 KDM4E (0.53) ALOX15KDM4EALDH1A1NPC1MAPT
SCHEMBL12914313 0.80 PTPN11 (0.50) ALOX15KDM4EALDH1A1NPC1MAPT
SCHEMBL1531740 0.76 PTPN11 (0.47) ALOX15KDM4EALDH1A1NPC1MAPT
SCHEMBL28827251 0.76 KDM4E (0.61) KDM4EALDH1A1NPC1MAPTRAB9A
SCHEMBL30987378 0.76 PTPN11 (0.47) ALOX15KDM4EALDH1A1NPC1MAPT
SCHEMBL15920425 0.75 GAA (0.62) ALOX15KDM4EALDH1A1NPC1MAPT
SCHEMBL27646939 0.75 GUSB (0.49) ALOX15KDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL27620753 0.73 GUSB (0.51) KDM4EALDH1A1HSD17B10HPGDHDAC1
SCHEMBL27639574 0.73 GUSB (0.48) ALOX15KDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL21439882 0.73 TNF (0.68) ALOX15KDM4EALDH1A1NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3036226-B1 INHIBITORS OF HUMAN 12/15-LIPOXYGENASE MASSACHUSETTS GEN HOSPITAL (US) 2020-01-08 EP disclosed
EP-3036226-B1 INHIBITORS OF HUMAN 12/15-LIPOXYGENASE MASSACHUSETTS GEN HOSPITAL (US) 2020-01-08 EP disclosed
US-10287279-B2 Inhibitors of human 12/15-lipoxygenase THE CHILDREN'S HOSPITAL CORPORATION (US) 2019-05-14 US disclosed
US-10287279-B2 Inhibitors of human 12/15-lipoxygenase THE CHILDREN'S HOSPITAL CORPORATION (US) 2019-05-14 US disclosed
US-20160168137-A1 INHIBITORS OF HUMAN 12/15-LIPOXYGENASE THE GENERAL HOSPITAL CORPORATION (US) 2016-06-16 US disclosed
US-20160168137-A1 INHIBITORS OF HUMAN 12/15-LIPOXYGENASE THE GENERAL HOSPITAL CORPORATION (US) 2016-06-16 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 (2 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-10287279-B2 Inhibitors of human 12/15-lipoxygenase ALOX15, ALOX12, ALOX15B ALOX15 1/4885KDM4E 3629/4885ALDH1A1 3013/4885
US-20160168137-A1 INHIBITORS OF HUMAN 12/15-LIPOXYGENASE ALOX15, ALOX12, ALOX15B ALOX15 1/4885KDM4E 3629/4885ALDH1A1 3013/4885

“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.