SCHEMBL856769

SCHEMBL856769

NCCCc1nc2ccccc2[nH]1

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.79
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
DDAH1 O94760 1/20 0.58
CHRM1 P11229 1/20 0.57
PDE10A Q9Y233 2/20 0.55
KDM4E B2RXH2 1/20 0.55
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
BCHE P06276 1/20 0.53

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
SCHEMBL29505763 1.00 POLB (0.79) POLBNPC1RAB9ADDAH1CHRM1
Hydrochloric Acid SCHEMBL8327038 0.98 POLB (0.77) POLBNPC1RAB9ADDAH1CHRM1
SCHEMBL1884524 0.95 POLB (0.83) POLBNPC1RAB9ADDAH1CHRM1
SCHEMBL4705680 0.93 POLB (0.80) POLBNPC1RAB9ADDAH1CHRM1
SCHEMBL4704495 0.93 POLB (0.80) POLBNPC1RAB9ADDAH1CHRM1
SCHEMBL10766533 0.93 POLB (0.80) POLBNPC1RAB9ADDAH1CHRM1
SCHEMBL524002 0.89 POLB (0.72) POLBNPC1RAB9ADDAH1CHRM1
SCHEMBL29620366 0.89 POLB (0.72) POLBNPC1RAB9ADDAH1CHRM1
SCHEMBL7854448 0.89 POLB (0.92) POLBNPC1RAB9ADDAH1CHRM1
SCHEMBL7006523 0.89 POLB (1.00) POLBNPC1RAB9ADDAH1CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0226016-A1 Process for inhibiting hydrogen-induced corrosion of metallic materials BAYER AG (DE) 1987-06-24 EP claimed
US-4000079-A ANTIFREEZE ADDITIVES BAYER AKTIENGESELLSCHAFT (DT) 1976-12-28 US claimed
EP-3364967-B1 FERROPORTIN INHIBITORS VIFOR INT AG (CH) 2026-05-20 EP disclosed
EP-3365339-B1 NOVEL FERROPORTIN INHIBITORS VIFOR INT AG (CH) 2025-07-16 EP disclosed
US-20220363675-A1 Novel Ferroportin Inhibitors VIFOR (INTERNATIONAL) AG (CH) 2022-11-17 US disclosed
EP-3212201-B1 NUCLEOSIDE KINASE INHIBITORS BCI PHARMA (FR) 2022-10-19 EP disclosed
US-11236093-B2 Adenine derivatives as protein kinase inhibitors B.C.I. PHARMA (BE) 2022-02-01 US disclosed
US-10738039-B2 Metal plating compositions ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2020-08-11 US disclosed
US-10632125-B2 MTH1 inhibitors for treatment of inflammatory and autoimmune conditions THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2020-04-28 US disclosed
EP-3288991-B1 REACTION PRODUCTS OF DIAMINES WITH REACTION PRODUCTS OF MONOAMINES AND BISANHYDRIDES AS ADDITIVES FOR ELECTROPLATING BATHS ROHM & HAAS ELECT MAT (US) 2020-03-18 EP disclosed
CN-107454908-B Reaction products of diamines with reaction products of monoamines and diacids as plating bath additives 罗门哈斯电子材料有限责任公司 2020-02-14 CN disclosed
EP-0787711-A2 Process for the preparation of alpha,beta-unsaturated carboxylic acids F. HOFFMANN-LA ROCHE AG (CH) 1997-08-06 EP disclosed
EP-0226016-A1 Process for inhibiting hydrogen-induced corrosion of metallic materials BAYER AG (DE) 1987-06-24 EP disclosed
US-4434174-A Treating cardiovascular diseases with N-(3-phenoxy-2-hydroxypropyl)benzimidazole-1-alkanamines BERLEX LABORATORIES, INC. (US) 1984-02-28 US disclosed
US-4296256-A 2-Decarboxy-2-hydroxymethyl-19-keto-PG compounds THE UPJOHN COMPANY (US) 1981-10-20 US disclosed
US-4235838-A IN OIL AND GAS WELLS PETROLITE CORPORATION (US) 1980-11-25 US disclosed
US-4104194-A 1,2-FUSED 5- OR 6-MEMBERED 1,3-DINITROGEN HETEROCYCLIC COMPOUNDS AS ANTICORROSION AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1978-08-01 US disclosed
US-4048174-A ANTI-CORROSION AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1977-09-13 US disclosed
US-4000079-A ANTIFREEZE ADDITIVES BAYER AKTIENGESELLSCHAFT (DT) 1976-12-28 US disclosed
US-3972890-A ACID CATALYST BAYER AKTIENGESELLSCHAFT (DT) 1976-08-03 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-11236093-B2 Adenine derivatives as protein kinase inhibitors ADK, TNNI3K, TNK2 POLB 2593/4885NPC1 2425/4885RAB9A 2414/4885
US-10738039-B2 Metal plating compositions MAOA, GAP43, MAOB POLB 23/4885NPC1 4763/4885RAB9A 759/4885
US-10632125-B2 MTH1 inhibitors for treatment of inflammatory and autoimmune conditions MTHFD1, MTHFD2, TPMT POLB 1116/4885NPC1 903/4885RAB9A 2672/4885
US-20220363675-A1 Novel Ferroportin Inhibitors HAMP, SLC40A1, HMOX1 POLB 4246/4885NPC1 445/4885RAB9A 2934/4885

“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.