SCHEMBL5216503

SCHEMBL5216503

C=CCN(C)Cc1csc(N)n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.40
GABRB2 P47870 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PYCR1 P32322 1/20 0.39
NOS1 P29475 2/20 0.38
SMN1; SMN2 Q16637 6/20 0.38
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
ALDH1A1 P00352 2/20 0.38
ATM Q13315 1/20 0.38
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL5913878 0.77 HSD17B10 (0.48) GABRA5GABRB2HSD17B10NOS1SMN1; SMN2
Hydrochloric Acid SCHEMBL308085 0.75 HSD17B10 (0.47) GABRA5GABRB2HSD17B10NOS1SMN1; SMN2
SCHEMBL16095606 0.74 GABRA5 (0.47) GABRA5GABRB2HSD17B10NOS1SMN1; SMN2
SCHEMBL936052 0.73
SCHEMBL4781489 0.73 RAB9A (0.43) GABRA5GABRB2HSD17B10NOS1SMN1; SMN2
SCHEMBL5221488 0.71 HSD17B10 (0.43) GABRA5GABRB2HSD17B10NOS1SMN1; SMN2
SCHEMBL353434 0.71 SMN1; SMN2 (0.47) GABRA5GABRB2HSD17B10NOS1SMN1; SMN2
SCHEMBL10161009 0.70 GABRA5 (0.46) GABRA5GABRB2HSD17B10NOS1SMN1; SMN2
SCHEMBL19996122 0.70 NOS1 (0.51) GABRA5GABRB2HSD17B10NOS1SMN1; SMN2
Acetic Acid SCHEMBL10491859 0.68 HSD17B10 (0.56) GABRA5GABRB2HSD17B10NOS1SMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1809380-A2 INHIBITORS OF HIV-1 CAPSID FORMATION: SUBSTITUTED ARYL AMINOMETHYL THIAZOLE UREAS AND ANALOGUES THEREOF Achillion Pharmaceuticals, Inc. (US) 2007-07-25 EP disclosed
US-7183300-B2 Inhibitors of HIV-1 capsid formation: substituted aryl aminomethyl thiazole ureas and analogues thereof UNIVERSITY OF MARYLAND BALTIMORE COUNTY 2007-02-27 US disclosed
US-7183300-B2 Inhibitors of HIV-1 capsid formation: substituted aryl aminomethyl thiazole ureas and analogues thereof UNIVERSITY OF MARYLAND BALTIMORE COUNTY 2007-02-27 US disclosed
US-7183300-B2 Inhibitors of HIV-1 capsid formation: substituted aryl aminomethyl thiazole ureas and analogues thereof UNIVERSITY OF MARYLAND BALTIMORE COUNTY 2007-02-27 US disclosed
WO-2006053323-A2 INHIBITORS OF HIV-1 CAPSID FORMATION: SUBSTITUTED ARYL AMINOMETHYL THIAZOLE UREAS AND ANALOGUES THEREOF ACHILLION PHARMACEUTICALS, INC. (US) 2006-05-18 WO disclosed
US-20060100232-A1 Inhibitors of HIV-1 capsid formation: substituted aryl aminomethyl thiazole ureas and analogues thereof ACHILLION PHARMACEUTICAL, INC. 2006-05-11 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-20060100232-A1 Inhibitors of HIV-1 capsid formation: substituted aryl aminomethyl thiazole ureas and analogues thereof ZC3HAV1, CD4, ACIN1 GABRA5 4123/4885GABRB2 4655/4885HSD17B10 4158/4885

“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.