SCHEMBL529786

SCHEMBL529786

Cc1c(N)cccc1C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
CYP3A4 P08684 1/20 0.54
PIK3CA P42336 1/20 0.54
PARP1 P09874 4/20 0.46
MMP2 P08253 1/20 0.45
ALDH1A1 P00352 5/20 0.45
HSD17B10 Q99714 4/20 0.45
KDM4E B2RXH2 4/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 1/20 0.45
BRD4 O60885 1/20 0.45
CFTR P13569 1/20 0.44
NPC1 O15118 1/20 0.44
CASP3 P42574 1/20 0.44
RAB9A P51151 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
METAP2 P50579 1/20 0.42
GAA P10253 2/20 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 SCHEMBL27561052 0.98 TSHR (0.52) TSHRCYP3A4PIK3CAPARP1MMP2
SCHEMBL39964 0.86 KDM4E (0.52) TSHRPARP1ALDH1A1HSD17B10KDM4E
SCHEMBL27639719 0.84 CYP3A4 (0.56) TSHRCYP3A4PIK3CAMMP2ALDH1A1
Hydrochloric Acid SCHEMBL4562961 0.84 PARP1 (0.50) TSHRPARP1ALDH1A1HSD17B10KDM4E
Salicylamide SCHEMBL10786131 0.83 KDM4E (0.68) TSHRCYP3A4PIK3CAMMP2ALDH1A1
SCHEMBL836606 0.83 CYP3A4 (0.54) TSHRCYP3A4PIK3CAMMP2ALDH1A1
SCHEMBL29622715 0.83 MMP2 (0.61) TSHRCYP3A4PIK3CAMMP2ALDH1A1
SCHEMBL412192 0.83 MMP2 (0.61) TSHRCYP3A4PIK3CAMMP2ALDH1A1
SCHEMBL4605083 0.81 CYP3A4 (0.52) TSHRCYP3A4PIK3CAMMP2ALDH1A1
Hydrochloric Acid SCHEMBL10708599 0.81 MMP2 (0.59) TSHRCYP3A4PIK3CAMMP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023127883-A1 INDAZOLE COMPOUND AND PHARMACEUTICAL 日本新薬株式会社 2023-07-06 WO claimed
WO-2012014127-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-02-02 WO claimed
US-12281057-B2 Carboxamides as modulators of sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-04-22 US disclosed
EP-3651752-B1 CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMA (US) 2024-11-20 EP disclosed
EP-3532474-B1 4,5-ANNULATED 1,2,4-TRIAZOLONES BAYER AG (DE) 2024-03-27 EP disclosed
CN-114921391-B 4, 5-cyclic 1,2, 4-triazolones 拜耳股份有限公司 2024-01-02 CN disclosed
US-11787797-B2 4,5-annulated 1,2,4-triazolones BAYER AKTIENGESELLSCHAFT (DE) 2023-10-17 US disclosed
US-20230286907-A1 CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-09-14 US disclosed
US-20230286907-A1 CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-09-14 US disclosed
US-20230286907-A1 CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-09-14 US disclosed
US-11603351-B2 Carboxamides as modulators of sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-03-14 US disclosed
CN-1429215-A Triazole derivatives YAMANOUCHI PHARMA CO LTD (JP) 2003-07-09 CN disclosed
EP-1293503-A1 TRIAZOLE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-03-19 EP disclosed
WO-2003002542-A1 N-HETEROCYCLIC INHIBITORS OF TNF-ALPHA EXPRESSION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-01-09 WO disclosed
WO-2002092571-A1 NOVEL 4-ANILINOQUINOLINE-3-CARBOXAMIDES ASTRAZENECA AB (SE) 2002-11-21 WO disclosed
US-20020137747-A1 N- heterocyclic inhibitors of TNF-alpha expression PHARMACEOPEIA, INC. 2002-09-26 US disclosed
EP-1242385-A1 CYTOKINE, ESPECIALLY TNF-ALPHA, INHIBITORS PHARMACOPEIA, INC. (US) 2002-09-25 EP disclosed
US-20020065270-A1 N-heterocyclic inhibitors of TNF-alpha expression PHARMACOPEIA, INC. 2002-05-30 US disclosed
WO-2001047897-A1 CYTOKINE, ESPECIALLY TNF-ALPHA, INHIBITORS PHARMACOPEIA, INC. (US) 2001-07-05 WO disclosed
US-4455312-A 2-(o-Carboxyphenylamino)-6H-pyrimido(2,1-b)-quinazolone-6 and derivatives thereof, and application as antiphlogistics KIEVSKY NAUCHNO-ISSLEDOVATELSKY INSTITUT FARMAKOLOGIII TOXIKOLOGII USSR. KIEV ULITSA EXHENA POTIE, 14 1984-06-19 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 (6 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-11603351-B2 Carboxamides as modulators of sodium channels TRPV1, SCN2A, SCN10A TSHR 3163/4885CYP3A4 2128/4885PIK3CA 1692/4885
US-20020137747-A1 N- heterocyclic inhibitors of TNF-alpha expression TNF, NFKBIA, RELA TSHR 2833/4885CYP3A4 1930/4885PIK3CA 1450/4885
US-20020065270-A1 N-heterocyclic inhibitors of TNF-alpha expression TNF, NFKBIA, RELA TSHR 2833/4885CYP3A4 1930/4885PIK3CA 1450/4885
US-11787797-B2 4,5-annulated 1,2,4-triazolones CCNA1, CCNT1, CCND2 TSHR 1396/4885CYP3A4 99/4885PIK3CA 204/4885
US-20230286907-A1 CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS TRPV1, SCN2A, SCN10A TSHR 3163/4885CYP3A4 2128/4885PIK3CA 1692/4885
US-12281057-B2 Carboxamides as modulators of sodium channels TRPV1, SCN2A, SCN10A TSHR 3163/4885CYP3A4 2128/4885PIK3CA 1692/4885

“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.