Sugi Predict

Sugi Predict / Compounds / SCHEMBL1421843

SCHEMBL1421843

SCHEMBL1421843

O=C(O)c1cnc(-c2cccnc2)s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 3/20 0.62
▸ MKNK2 Q9HBH9 3/20 0.62
▸ NPC1 O15118 4/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ RAB9A P51151 3/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ MAPT P10636 2/20 0.54
▸ HPGDS O60760 1/20 0.52
▸ HDAC1 Q13547 2/20 0.51
▸ HDAC6 Q9UBN7 2/20 0.51
▸ CYP3A4 P08684 3/20 0.49
▸ CYP2A6 P11509 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP1A2 P05177 3/20 0.48
▸ KMO O15229 2/20 0.48
▸ HDAC3 O15379 1/20 0.48
▸ HDAC4 P56524 1/20 0.48
▸ HDAC7 Q8WUI4 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48

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
SCHEMBL27768593 0.89 NPC1 (0.59) MKNK1MKNK2NPC1ALDH1A1RAB9A
SCHEMBL11388698 0.86 ALDH1A1 (0.51) MKNK1MKNK2NPC1ALDH1A1RAB9A
SCHEMBL5392323 0.86 CYP3A4 (0.56) MKNK1MKNK2NPC1ALDH1A1RAB9A
SCHEMBL12725601 0.86 NPC1 (0.49) MKNK1MKNK2NPC1ALDH1A1RAB9A
SCHEMBL29548990 0.86 CYP3A4 (0.56) MKNK1MKNK2NPC1ALDH1A1RAB9A
SCHEMBL14343335 0.86 CYP3A4 (0.63) MKNK1MKNK2NPC1ALDH1A1RAB9A
SCHEMBL24702452 0.85 HPGDS (0.54) MKNK1MKNK2NPC1ALDH1A1RAB9A
SCHEMBL1222603 0.84 ALDH1A1 (0.72) NPC1ALDH1A1RAB9ASMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL1421806 0.84 NPC1 (0.48) MKNK1MKNK2NPC1ALDH1A1RAB9A
SCHEMBL12725708 0.82 PDE10A (0.53) MKNK1MKNK2NPC1ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220396586-A1 THIAZOLE CARBOXAMIDE COMPOUNDS AND USE THEREOF FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT INC (US) 2022-12-15 — — US disclosed
US-20220009918-A1 Chemical Compounds GLAXOSMITHKLINE IP DEV LTD (GB) 2022-01-13 — — US disclosed
US-20220009918-A1 Chemical Compounds GLAXOSMITHKLINE IP DEV LTD (GB) 2022-01-13 — — US disclosed
EP-3877384-A1 CHEMICAL COMPOUNDS GlaxoSmithKline Intellectual Property Development Ltd (GB) 2021-09-15 — — EP disclosed
CN-112969698-A Chemical compound 葛兰素史密斯克莱知识产权发展有限公司 2021-06-15 — — CN disclosed
EP-2935271-B1 NOVEL SUBSTITUTED IMIDAZOLES AS CASEIN KINASE 1 / INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-25 — — EP disclosed
US-9725459-B2 3-oxo-tetrahydro-furo[3,2-B]pyrrol-4(5H)-yl) derivatives I GRUNENTHAL GMBH (DE) 2017-08-08 — — US disclosed
US-9725459-B2 3-oxo-tetrahydro-furo[3,2-B]pyrrol-4(5H)-yl) derivatives I GRUNENTHAL GMBH (DE) 2017-08-08 — — US disclosed
US-9725459-B2 3-oxo-tetrahydro-furo[3,2-B]pyrrol-4(5H)-yl) derivatives I GRUNENTHAL GMBH (DE) 2017-08-08 — — US disclosed
EP-2725022-B1 New amides as pest control agents BAYER CROPSCIENCE AG (DE) 2017-03-29 — — EP disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 — — US disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 — — US disclosed
WO-2009149858-A1 NOVEL HETEROAROMATIC AMIDES AND THIOAMIDES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2009-12-17 — — WO disclosed
WO-2009149858-A1 NOVEL HETEROAROMATIC AMIDES AND THIOAMIDES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2009-12-17 — — WO disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 — — US disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 — — US disclosed
US-20090118503-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. 2009-05-07 — — US disclosed
US-20090118503-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. 2009-05-07 — — US disclosed
US-6140504-A Substituted intermediate compounds for the preparation of n-[(aminoiminomethyl or aminomethyl)phenyl]propyl amides AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-10-31 — — US disclosed
US-6080767-A Substituted n-[(aminoiminomethyl or aminomethyl)phenyl]propyl amides AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-06-27 — — 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 (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-20220009918-A1 Chemical Compounds HPGDS, PTGS1, PTGER1 MKNK1 4391/4885MKNK2 4363/4885NPC1 3330/4885
US-20100197708-A1 INDOLE COMPOUNDS IDO1, IDO2, TPH2 MKNK1 897/4885MKNK2 854/4885NPC1 2681/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT MKNK1 2790/4885MKNK2 2923/4885NPC1 2525/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 MKNK1 1909/4885MKNK2 2019/4885NPC1 2508/4885
US-20220396586-A1 THIAZOLE CARBOXAMIDE COMPOUNDS AND USE THEREOF FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS GOT2, ABAT, SDHA MKNK1 2989/4885MKNK2 2473/4885NPC1 1028/4885

“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.