SCHEMBL6133651

SCHEMBL6133651

CC(C)n1nc(-c2sc(NC(=O)CN3CCCCC3)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.51
ALDH1A1 P00352 5/20 0.50
TSHR P16473 1/20 0.50
CLK1 P49759 1/20 0.50
RAB9A P51151 1/20 0.50
KDM4E B2RXH2 3/20 0.48
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 2/20 0.48
PTGS2 P35354 1/20 0.46
ADORA2A P29274 5/20 0.44
ADORA1 P30542 5/20 0.44
XIAP P98170 1/20 0.42
MGLL Q99685 1/20 0.42
MAPT P10636 2/20 0.41
KDR P35968 1/20 0.41
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTT P42858 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
Hydrochloric Acid SCHEMBL6133286 0.98 ALDH1A1 (0.50) NPC1ALDH1A1TSHRCLK1RAB9A
Hydrochloric Acid SCHEMBL6133681 0.91 ALDH1A1 (0.49) NPC1ALDH1A1TSHRCLK1RAB9A
Hydrochloric Acid SCHEMBL6133940 0.91 ALDH1A1 (0.61) NPC1ALDH1A1TSHRCLK1RAB9A
SCHEMBL6133273 0.91 ALDH1A1 (0.48) NPC1ALDH1A1TSHRCLK1RAB9A
Hydrochloric Acid SCHEMBL6134653 0.90 ALDH1A1 (0.45) NPC1ALDH1A1TSHRCLK1RAB9A
Hydrochloric Acid SCHEMBL6133446 0.88 ALDH1A1 (0.44) NPC1ALDH1A1TSHRCLK1RAB9A
SCHEMBL6133840 0.86 PTGS2 (0.50) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL6133361 0.85 ADORA2A (0.48) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL6133306 0.85 ADORA1 (0.60) ALDH1A1KDM4EHPGDLMNAADORA2A
SCHEMBL6133110 0.85 SMN1; SMN2 (0.49) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050004134-A1 Thiazole derivative and pharmaceutical use thereof ASTELLAS PHARMA INC. (JP) 2005-01-06 US disclosed
EP-1441732-A2 THIAZOLE DERIVATIVE AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-04 EP disclosed
WO-2003039451-A2 THIAZOLE PYRIDAZINONES AS ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-05-15 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 (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-20050004134-A1 Thiazole derivative and pharmaceutical use thereof MC2R, CYP2C9, OXTR NPC1 2391/4885ALDH1A1 630/4885TSHR 20/4885

“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.