SCHEMBL3379803

SCHEMBL3379803

O=C(Nc1nncs1)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AQP4 P55087 1/20 0.70
TAAR1 Q96RJ0 1/20 0.64
TSHR P16473 1/20 0.63
LMNA P02545 1/20 0.59
KDM4E B2RXH2 2/20 0.57
CYP1A2 P05177 1/20 0.57
POLB P06746 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
RAB9A P51151 3/20 0.57
ALDH1A1 P00352 2/20 0.57
HPGD P15428 2/20 0.57
HSD17B10 Q99714 2/20 0.57
NPC1 O15118 2/20 0.57
TP53 P04637 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MIF P14174 1/20 0.55
MAPK1 P28482 1/20 0.55

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
SCHEMBL14096368 0.85 MIF (0.62) AQP4TAAR1TSHRKDM4ECYP1A2
SCHEMBL3178559 0.83 AQP4 (1.00) AQP4TSHRLMNAPOLBRAB9A
SCHEMBL8127812 0.82 AQP4 (0.60) AQP4TAAR1TSHRLMNAKDM4E
SCHEMBL7348856 0.82 LMNA (0.62) AQP4TAAR1TSHRLMNAKDM4E
SCHEMBL8554147 0.82 LMNA (0.65) AQP4LMNAKDM4ERAB9AALDH1A1
SCHEMBL8157997 0.82 RAB9A (0.63) AQP4TAAR1TSHRLMNAKDM4E
SCHEMBL9963857 0.80 KDM4E (0.61) AQP4TSHRLMNAKDM4ERAB9A
SCHEMBL1924051 0.79 NPC1 (0.63) AQP4TAAR1TSHRLMNAKDM4E
SCHEMBL7713468 0.78 TAAR1 (1.00) TAAR1TSHRKDM4ECYP1A2POLB
SCHEMBL18292499 0.76 LMNA (0.65) AQP4TAAR1TSHRLMNAKDM4E

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108794427-A A kind of synthetic method of 1,3,4- thiadiazoles derivatives 江苏快达农化股份有限公司 2018-11-13 CN disclosed
US-9447033-B2 Potassium channel blockers JAPAN TOBACCO INC. (JP) 2016-09-20 US disclosed
US-20150259282-A1 Potassium Channel Blockers XENTION LIMITED (GB) 2015-09-17 US disclosed
US-9073834-B2 Potassium channel blockers XENTION LIMITED (GB) 2015-07-07 US disclosed
US-20140221337-A1 Potassium Channel Blockers XENTION LIMITED (GB) 2014-08-07 US disclosed
US-8673901-B2 Potassium channel blockers XENTION LIMITED (GB) 2014-03-18 US disclosed
US-8044075-B2 IL-8 receptor antagonists GLAXOSMITHKLINE (US) 2011-10-25 US disclosed
US-20100298387-A1 IL-8 Receptor Antagonists SMITHKLINE BEECHAM CORPORATION 2010-11-25 US disclosed
US-20100087428-A1 Novel Potassium Channel Blockers XENTION LIMITED (GB) 2010-04-08 US disclosed
US-5086184-A Herbicides DOWELANCO (US) 1992-02-04 US disclosed
US-4801718-A HERBICIDES ELI LILLY AND COMPANY (US) 1989-01-31 US disclosed
US-4636243-A HERBICIDES ISOXAZOLES ELI LILLY AND COMPANY (US) 1987-01-13 US disclosed
US-4515625-A HERBICIDES ELI LILLY AND COMPANY (US) 1985-05-07 US disclosed
EP-0049071-B1 N-ARYLBENZAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1984-12-19 EP disclosed
US-4416683-A HERBICIDES ELI LILLY AND COMPANY (US) 1983-11-22 US disclosed
EP-0049071-A1 N-arylbenzamide derivatives ELI LILLY AND COMPANY (US) 1982-04-07 EP disclosed
US-4271166-A N-(1,3,4-Thiadiazol-2-yl)benzamides ELI LILLY AND COMPANY (US) 1981-06-02 US disclosed
US-4271166-A N-(1,3,4-Thiadiazol-2-yl)benzamides ELI LILLY AND COMPANY (US) 1981-06-02 US disclosed
US-4141984-A INSECTICIDES ELI LILLY AND COMPANY (US) 1979-02-27 US disclosed
US-4141984-A INSECTICIDES ELI LILLY AND COMPANY (US) 1979-02-27 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 (4 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-20140221337-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 AQP4 297/4885TAAR1 571/4885TSHR 809/4885
US-20100087428-A1 Novel Potassium Channel Blockers HCN4, SCN2B, KCNH2 AQP4 1714/4885TAAR1 313/4885TSHR 174/4885
US-20100298387-A1 IL-8 Receptor Antagonists CXCL8, CCR8, IL1RN AQP4 2097/4885TAAR1 675/4885TSHR 772/4885
US-20150259282-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 AQP4 297/4885TAAR1 571/4885TSHR 809/4885

“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.