SCHEMBL7323592

SCHEMBL7323592

CCCCOc1ccc(-c2nnc(N)s2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 1.00
MAPT P10636 4/20 1.00
LMNA P02545 3/20 1.00
KDM4E B2RXH2 9/20 0.88
SMN1; SMN2 Q16637 7/20 0.88
NPC1 O15118 7/20 0.88
L3MBTL1 Q9Y468 1/20 0.88
TP53 P04637 2/20 0.77
HSD17B10 Q99714 2/20 0.77
ALDH1A1 P00352 3/20 0.64
MGAM O43451 4/20 0.62
GAA P10253 4/20 0.62
SI P14410 4/20 0.62
MGAM2 Q2M2H8 4/20 0.62
XIAP P98170 1/20 0.56
NOTUM Q6P988 2/20 0.54
HPGD P15428 2/20 0.52

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
SCHEMBL6538920 0.97 RAB9A (0.94) RAB9AMAPTLMNAKDM4ESMN1; SMN2
SCHEMBL16479583 0.88 RAB9A (0.78) RAB9AMAPTLMNAKDM4ESMN1; SMN2
SCHEMBL3107207 0.87 RAB9A (0.76) RAB9AMAPTLMNAKDM4ESMN1; SMN2
SCHEMBL17713905 0.86 KDM4E (0.76) RAB9AMAPTLMNAKDM4ESMN1; SMN2
SCHEMBL6539262 0.86 KDM4E (0.97) RAB9AMAPTLMNAKDM4ESMN1; SMN2
SCHEMBL21156447 0.85 RAB9A (0.74) RAB9AMAPTLMNAKDM4ESMN1; SMN2
SCHEMBL12939777 0.85 RAB9A (0.74) RAB9AMAPTLMNAKDM4ESMN1; SMN2
SCHEMBL21157737 0.85 RAB9A (0.73) RAB9AMAPTLMNAKDM4ESMN1; SMN2
SCHEMBL8742518 0.84 RAB9A (0.72) RAB9AMAPTLMNAKDM4ESMN1; SMN2
SCHEMBL8742494 0.84 RAB9A (0.72) RAB9AMAPTLMNAKDM4ESMN1; 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 US disclosed
US-20170349621-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2017-12-07 US disclosed
US-20160152654-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2016-06-02 US disclosed
US-9085600-B2 Triazole compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-07-21 US disclosed
US-20140094422-A1 Triazole Compounds and Methods of Making and Using the Same SILICON VALLEY BANK 2014-04-03 US disclosed
US-8470985-B2 Triazole compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2013-06-25 US disclosed
CN-1240713-C New compound FUJISAWA PHARMACEUTICAL CO (JP) 2006-02-08 CN disclosed
CN-1296494-A New compound FUJISAWA PHARMACEUTICAL CO (JP) 2001-05-23 CN disclosed
US-6232290-B1 FUNGICIDES AGAINST PNEUMOCYSTIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-15 US disclosed
EP-1053247-A1 ANTIFUNGAL CYCLOHEXAPEPTIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-22 EP disclosed
WO-1999040108-A1 NEW COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-08-12 WO disclosed
EP-0005783-B1 IMIDAZO (2.1-B)-(1.3.4)-THIADIAZOLES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN MEDICAMENTS BAYER AG (DE) 1981-12-30 EP disclosed
US-4265898-A ANTICOAGULANTS BAYER AKTIENGESELLSCHAFT (DE) 1981-05-05 US disclosed
EP-0005783-A1 Imidazo (2.1-b)-(1.3.4)-thiadiazoles, process for their preparation and their use in medicaments BAYER AG (DE) 1979-12-12 EP 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-20170349621-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PROKR1, ARG1, ARG2 RAB9A 2624/4885MAPT 4213/4885LMNA 2857/4885
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same CCNO, PTGDR, CCNE1 RAB9A 1747/4885MAPT 4552/4885LMNA 2404/4885
US-20140094422-A1 Triazole Compounds and Methods of Making and Using the Same PROKR1, ARG1, ARG2 RAB9A 2624/4885MAPT 4213/4885LMNA 2857/4885
US-20160152654-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PROKR1, ARG1, ARG2 RAB9A 2624/4885MAPT 4213/4885LMNA 2857/4885

“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.