SCHEMBL21054591

SCHEMBL21054591

OB(O)c1cnc(SCc2ccccc2)nc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.65
RAB9A P51151 9/20 0.49
NPC1 O15118 7/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
MAPK1 P28482 1/20 0.46
ALOX15 P16050 2/20 0.45
HPGD P15428 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.44
TSHR P16473 2/20 0.44
ALDH1A1 P00352 3/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
DAO P14920 1/20 0.41
HSP90AA1 P07900 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL1029180 0.79 HSD17B10 (1.00) HSD17B10RAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL10973574 0.77 HSD17B10 (0.66) HSD17B10RAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL10975367 0.77 HSD17B10 (0.66) HSD17B10RAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL257989 0.73 MAOA (0.53) HSD17B10MEN1KMT2ADAO
SCHEMBL6394768 0.72 HSD17B10 (0.59) HSD17B10RAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL3070666 0.72 HSD17B10 (0.70) HSD17B10RAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL6639975 0.71 HSD17B10 (0.53) HSD17B10RAB9ANPC1SMN1; SMN2ALOX15
SCHEMBL13752162 0.71 RAB9A (0.70) HSD17B10RAB9ANPC1SMN1; SMN2ALOX15
SCHEMBL29043729 0.71 HSD17B10 (0.68) HSD17B10RAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL29950998 0.70 VNN1 (0.57) HPGDMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250101012-A1 HETEROCYCLE SUBSTITUTED PYRIDINE DERIVATIVE ANTIFUNGAL AGENTS BASILEA PHARMACEUTICA INTERNATIONAL AG, ALLSCHWIL (CH) 2025-03-27 US disclosed
US-12139479-B2 Heterocycle substituted pyridine derivative antifungal agents BASILEA PHARMACEUTICA INTERNATIONAL AG, ALLSCHWIL (CH) 2024-11-12 US disclosed
EP-3720438-B1 HETEROCYCLE SUBSTITUTED PYRIDINE DERIVATIVE ANTIFUNGAL AGENTS AMPLYX PHARMACEUTICALS INC (US) 2023-08-30 EP disclosed
US-20230065881-A1 HETEROCYCLE SUBSTITUTED PYRIDINE DERIVATIVE ANTIFUNGAL AGENTS AMPLYX PHARMACEUTICALS, INC. (US) 2023-03-02 US disclosed
US-11512079-B2 Heterocycle substituted pyridine derivative antifungal agents AMPLYX PHARMACEUTICALS, INC. (US) 2022-11-29 US disclosed
US-20210163461-A1 HETEROCYCLE SUBSTITUTED PYRIDINE DERIVATIVE ANTIFUNGAL AGENTS BASILEA PHARMACEUTICA INTERNATIONAL AG, ALLSCHWIL (CH) 2021-06-03 US disclosed
WO-2020247804-A1 HETEROCYCLE SUBSTITUTED PYRIDINE DERIVATIVE ANTIFUNGAL AGENTS AMPLYX PHARMACEUTICALS, INC. (US) 2020-12-10 WO disclosed
EP-3720438-A1 HETEROCYCLE SUBSTITUTED PYRIDINE DERIVATIVE ANTIFUNGAL AGENTS Amplyx Pharmaceuticals, Inc. (US) 2020-10-14 EP disclosed
CN-111698989-A Heterocyclic substituted pyridine derivative antifungal agent 安普利克斯制药公司 2020-09-22 CN disclosed
WO-2019113542-A1 HETEROCYCLE SUBSTITUTED PYRIDINE DERIVATIVE ANTIFUNGAL AGENTS AMPLYX PHARMACEUTICALS, INC. (US) 2019-06-13 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 (5 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-20250101012-A1 HETEROCYCLE SUBSTITUTED PYRIDINE DERIVATIVE ANTIFUNGAL AGENTS ERG28, DPM1, CYP51A1 HSD17B10 2441/4885RAB9A 1893/4885NPC1 194/4885
US-20210163461-A1 HETEROCYCLE SUBSTITUTED PYRIDINE DERIVATIVE ANTIFUNGAL AGENTS ERG28, DPM1, CYP51A1 HSD17B10 2441/4885RAB9A 1893/4885NPC1 194/4885
US-20230065881-A1 HETEROCYCLE SUBSTITUTED PYRIDINE DERIVATIVE ANTIFUNGAL AGENTS ERG28, DPM1, CYP51A1 HSD17B10 2441/4885RAB9A 1893/4885NPC1 194/4885
US-12139479-B2 Heterocycle substituted pyridine derivative antifungal agents ERG28, DPM1, CYP51A1 HSD17B10 2441/4885RAB9A 1893/4885NPC1 194/4885
US-11512079-B2 Heterocycle substituted pyridine derivative antifungal agents ERG28, DPM1, CYP51A1 HSD17B10 2441/4885RAB9A 1893/4885NPC1 194/4885

“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.