SCHEMBL294429

SCHEMBL294429

BrNc1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
HSD17B10 Q99714 5/20 0.56
TSHR P16473 4/20 0.56
HPGD P15428 4/20 0.56
CYP3A4 P08684 3/20 0.56
TP53 P04637 1/20 0.56
ALOX15 P16050 1/20 0.56
CDC25B P30305 1/20 0.56
ATM Q13315 1/20 0.56
KDM4E B2RXH2 5/20 0.52
GAA P10253 2/20 0.52
CA12 O43570 2/20 0.50
CA14 Q9ULX7 2/20 0.50
KEAP1 Q14145 1/20 0.50
CA3 P07451 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50

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
SCHEMBL29690011 1.00 ALDH1A1 (0.56) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL31067901 0.79 ALDH1A1 (0.55) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL7915675 0.79 ALDH1A1 (0.60) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL49213 0.79 HSD17B10 (0.74) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL8500339 0.77 HSD17B10 (0.71) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL1921580 0.77 HSD17B10 (0.71) ALDH1A1HSD17B10TSHRHPGDCYP3A4
Ammonia Solution, Strong SCHEMBL11586421 0.77 HSD17B10 (0.71) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL8682861 0.76 ALDH1A1 (0.52) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL7483801 0.75 ALDH1A1 (0.56) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL9370129 0.75 ALDH1A1 (0.56) ALDH1A1HSD17B10TSHRHPGDCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114907350-B Nitrogen-containing condensed ring compound, preparation method and application 上海凌达生物医药有限公司 2023-12-29 CN disclosed
CN-111526877-B Compounds and compositions for IRE1 inhibition 奥普提卡拉公司 2023-08-25 CN disclosed
US-11649237-B2 Substituted imidazo[1,5-a]pyrazines for IRE1 inhibition OPTIKIRA LLC (US) 2023-05-16 US disclosed
EP-3675858-B1 IMIDAZO[1,5-A]PYRAZINE COMPOUNDS AND COMPOSITIONS FOR IRE1 INHIBITION OPTIKIRA LLC (US) 2023-04-26 EP disclosed
CN-114222732-B Uric acid excretion promoter, synthesis method thereof and application thereof in medicine 南京明德新药研发有限公司 2023-04-04 CN disclosed
CN-114349684-B Synthetic method of benzo [ c, d ] indole imine derivative 西南林业大学 2023-03-28 CN disclosed
CN-114907350-A Nitrogen-containing condensed ring compounds, preparation method and application 上海凌达生物医药有限公司 2022-08-16 CN disclosed
CN-114349684-A Synthetic method of benzo [ c, d ] indole imine derivative 西南林业大学 2022-04-15 CN disclosed
CN-114222732-A Uric acid excretion promoter, synthesis method thereof and application thereof in medicine 南京明德新药研发有限公司 2022-03-22 CN disclosed
CN-109912432-B Aryne alkynyl 1-naphthylamine fluorescent compound, preparation method and application 湖南大学 2021-10-08 CN disclosed
US-6492529-B1 PHARMACEUTIC COMPOSITIONS FOR TREATING DISEASES OR PATHOLOGICAL CONDITIONS INVOLVING INFLAMMATION SUCH AS CHRONIC INFLAMMATORY DISEASES. BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-12-10 US disclosed
US-20020103401-A1 Process for the production of 1,5-naphthalenediamine BAYER AKTIENGESELLSCHAFT (DE) 2002-08-01 US disclosed
US-20020065285-A1 Aromatic heterocyclic compounds as antiinflammatory agents HICKEY EUGENE R (US) 2002-05-30 US disclosed
US-20020058678-A1 Aromatic heterocyclic compounds as antiinflammatory agents CIRILLO PIER F (US) 2002-05-16 US disclosed
US-6372773-B1 TREATMENT OF INFLAMMATION, ARTHRITIS WITH UREA OR THIOUREA HETEROCYCLES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-04-16 US disclosed
US-6333325-B1 ADMINISTERING PYRAZOLE DERIVATIVE OF UREA OR THIOUREA FOR THERAPY OF CYTOKINE MEDIATED DISEASE SUCH AS ACTUATE AND CHRONIC PAIN, CONTACT DERMATITIS, ATHEROSCLEROSIS, GLOMERULONEPHRITIS, REPERFUSION INJURY, BONE RESORPTION BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2001-12-25 US disclosed
US-6329415-B1 INHIBIT RELEASE OF INFLAMMATORY CYTOKINES SUCH AS INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2001-12-11 US disclosed
US-6319921-B1 FOR TREATMENT OF RHEUMATOID ARTHRITIS, MULTIPLE SCLEROSIS, GUILLAIN-BARRE SYNDROME, CROHN'S DISEASE ULCERATIVE COLITIS, PSORIASIS, GRAFT VERSUS HOST DISEASE, SYSTEMIC LUPUS ERYTHEMATOSUS AND DIABETES BOERHINGER INGELHEIM PHARMACEUTICALS, INC. 2001-11-20 US disclosed
EP-1147104-A1 AROMATIC HETEROCYCLIC COMPOUNDS AS ANTIINFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2001-10-24 EP disclosed
WO-2000043384-A1 AROMATIC HETEROCYCLIC COMPOUNDS AS ANTIINFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-07-27 WO 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-20020103401-A1 Process for the production of 1,5-naphthalenediamine BBOX1, CYP4B1, NAT1 ALDH1A1 455/4885HSD17B10 244/4885TSHR 3810/4885
US-11649237-B2 Substituted imidazo[1,5-a]pyrazines for IRE1 inhibition XBP1, HSPA5, ERN1 ALDH1A1 1720/4885HSD17B10 3311/4885TSHR 3585/4885
US-20020065285-A1 Aromatic heterocyclic compounds as antiinflammatory agents FPR1, AHR, FPR2 ALDH1A1 294/4885HSD17B10 1510/4885TSHR 3935/4885
US-20020058678-A1 Aromatic heterocyclic compounds as antiinflammatory agents FPR1, AHR, FPR2 ALDH1A1 294/4885HSD17B10 1510/4885TSHR 3935/4885

“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.