SCHEMBL19930446

SCHEMBL19930446

O=C(c1ccccc1Cl)N1CCN(c2ccc3nccn3n2)CC1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.63
▸ KDM4E B2RXH2 2/20 0.63
▸ ALDH1A1 P00352 2/20 0.63
▸ HPGD P15428 1/20 0.63
▸ GAA P10253 2/20 0.54
▸ KMT2A Q03164 4/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ GBA1 P04062 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ THRB P10828 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.46
▸ CA12 O43570 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA7 P43166 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ CA14 Q9ULX7 1/20 0.45

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
SCHEMBL19930457 0.87 HSD17B10 (0.62) HSD17B10KDM4EALDH1A1HPGDGAA
SCHEMBL19930448 0.83 SLC6A7 (0.55) KDM4EALDH1A1SMN1; SMN2
SCHEMBL19930458 0.82 SLC6A7 (0.54) HSD17B10KDM4EALDH1A1HPGDKMT2A
SCHEMBL18126733 0.82 ADRB2 (0.59) HSD17B10KDM4EALDH1A1HPGDGAA
SCHEMBL19930455 0.81 KDM4E (0.65) HSD17B10KDM4EALDH1A1HPGDKMT2A
SCHEMBL19930445 0.81 ALDH1A1 (0.65) KDM4EALDH1A1HPGDSMN1; SMN2THRB
SCHEMBL19930449 0.78 DPP4 (0.49) HSD17B10ALDH1A1HPGDGAAKMT2A
SCHEMBL19930459 0.74 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL19930462 0.74 ALDH1A1 (0.64) HSD17B10KDM4EALDH1A1GAAKMT2A
SCHEMBL10723816 0.74 RAB9A (0.80) HSD17B10KDM4EALDH1A1HPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180064711-A1 METHODS FOR TREATING CRYPTOSPORIDIOSIS USING TRIAZOLOPYRIDAZINES UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE 2018-03-08 — — 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-20180064711-A1 METHODS FOR TREATING CRYPTOSPORIDIOSIS USING TRIAZOLOPYRIDAZINES CLPP, SI, SAMHD1 HSD17B10 4133/4885KDM4E 3816/4885ALDH1A1 1257/4885

“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.

Send feedback