SCHEMBL19930458

SCHEMBL19930458

O=C(c1ccc(Cl)cc1)N1CCN(c2ccc3nccn3n2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A7 Q99884 2/20 0.54
▸ AKR1C3 P42330 1/20 0.52
▸ HSD17B10 Q99714 2/20 0.51
▸ MAPK1 P28482 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ STAT3 P40763 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.48
▸ LMNA P02545 2/20 0.48
▸ HSP90AA1 P07900 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ GBA1 P04062 1/20 0.47
▸ GPR6 P46095 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ NAMPT P43490 1/20 0.45
▸ PHGDH O43175 1/20 0.45
▸ HPGD P15428 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
SCHEMBL19930448 0.89 SLC6A7 (0.55) SLC6A7MAPK1SMN1; SMN2ALDH1A1POLB
SCHEMBL19930445 0.89 ALDH1A1 (0.65) SLC6A7SMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL19930457 0.85 HSD17B10 (0.62) HSD17B10MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL19930459 0.84 CA12 (0.54) —
SCHEMBL19930446 0.82 HSD17B10 (0.63) HSD17B10MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL18126697 0.82 ADRB2 (0.58) SLC6A7AKR1C3HSD17B10MAPK1MEN1
SCHEMBL19930462 0.81 ALDH1A1 (0.64) HSD17B10MAPK1MEN1MAPTKMT2A
SCHEMBL19930456 0.81 ALDH1A1 (0.44) HSD17B10MAPK1MEN1MAPTKMT2A
SCHEMBL19930449 0.81 DPP4 (0.49) HSD17B10MEN1MAPTKMT2AALDH1A1
SCHEMBL19930447 0.77 KDM4E (0.55) HSD17B10MEN1MAPTKMT2ASMN1; SMN2

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 SLC6A7 2967/4885AKR1C3 2157/4885HSD17B10 4133/4885

“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.

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