SCHEMBL441105

SCHEMBL441105

[c]1ncccc1N1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
POLB P06746 1/20 0.42
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 1/20 0.40
HTT P42858 3/20 0.39
MAPT P10636 3/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.37
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KCNMA1 Q12791 1/20 0.36
PTK2 Q05397 1/20 0.36
TP53 P04637 1/20 0.36
PIK3CA P42336 1/20 0.35

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
SCHEMBL2067060 0.82 CHKA (0.34) CYP1A2CYP2C9MAPTALDH1A1TSHR
SCHEMBL918905 0.82 CHKA (0.39) LMNACYP1A2CYP2C9HTTMAPT
SCHEMBL185803 0.81 HPGD (0.39) LMNACYP1A2CYP2C9MAPTRAB9A
SCHEMBL22530378 0.80 LMNA (0.31) LMNAPOLBCYP1A2CYP2C9ALDH1A1
SCHEMBL3547725 0.78 AR (0.35) MAPTRAB9AALDH1A1GAAL3MBTL1
SCHEMBL526372 0.78 PLD1 (0.44) CYP1A2HTTALDH1A1KDM4EMAPK1
SCHEMBL933508 0.78 HTR3A (0.42) CYP1A2ALDH1A1KDM4E
SCHEMBL3662514 0.75 KDM4E (0.48) LMNACYP1A2HTTMAPTNPC1
SCHEMBL14931430 0.74 PDE10A (0.36) ALDH1A1TSHRPIK3CA
SCHEMBL4281399 0.71 KMT2A (0.45) LMNACYP1A2CYP2C9HTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3634975-B1 17-OXIMES OF 15.BETA.-[3-PROPANAMIDO]-SUBSTITUTED ESTRA-1,3,5(10)-TRIEN-17-ONES FOR USE IN INHIBITION OF 17.BETA.-HYDROXYSTEROID DEHYDROGENASES ORGANON R&D FINLAND LTD (FI) 2024-02-28 EP claimed
US-20240025884-A1 COMPOUNDS AS GCN2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF DONG-A ST CO., LTD. (KR) 2024-01-25 US claimed
WO-2024009215-A1 NOVEL COMPOUNDS AS GCN2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF DONG-A ST CO., LTD. (KR) 2024-01-11 WO claimed
US-20230331715-A1 SPIRO[3.3]HEPTANE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-10-19 US claimed
EP-4251615-A1 SPIRO[3.3]HEPTANE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2023-10-04 EP claimed
CN-116406362-A Spiro [3.3] heptane derivatives for the treatment and prevention of hepatitis b virus infection 豪夫迈·罗氏有限公司 2023-07-07 CN claimed
CN-110945007-B 15 beta- [ 3-propionylamino ] -substituted estra-1, 3,5 (10) -trien-17-one compounds and 17-oximes thereof for inhibiting 17 beta-hydroxysteroid dehydrogenases 佛恩多制药有限公司 2022-11-18 CN claimed
WO-2022112188-A1 SPIRO[3.3]HEPTANE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2022-06-02 WO claimed
US-20220162192-A1 INDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. 2022-05-26 US claimed
US-20220127303-A1 THERAPEUTICALLY ACTIVE STEROIDAL DERIVATIVES FORENDO PHARMA LTD (FI) 2022-04-28 US claimed
WO-2006061415-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-15 WO claimed
WO-2005118071-A2 TETRAHYDROPYRIDOTHIOPHENES ALTANA PHARMA AG (DE) 2005-12-15 WO claimed
US-20040229917-A1 Imidazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-11-18 US claimed
US-20040048895-A1 Caspase-1 inhibitors and methods for their use SUNESIS PHARMACEUTICALS, INC. 2004-03-11 US claimed
WO-2003103599-A2 CASPASE-1 INHIBITORS AND METHODS FOR THEIR USE SUNESIS PHARMACEUTICALS, INC. (US) 2003-12-18 WO claimed
US-6646010-B2 Enzyme inhibitors such as N(3-benzyloxycarbonylamino-2-hydroxy -4-phenylbutyl)-N-isoamylamine, used for prophylaxis of viral diseases and infections; lymphadenopathy associated virus G. D. SEARLE & CO. 2003-11-11 US claimed
EP-1230235-A1 COMPOUNDS WITH ANTIBACTERIAL AND ANTIPARASITIC PROPERTIES New Pharma Research Sweden AB (SE) 2002-08-14 EP claimed
WO-2001036408-A1 COMPOUNDS WITH ANTIBACTERIAL AND ANTIPARASITIC PROPERTIES NEW PHARMA RESEARCH SWEDEN AB (SE) 2001-05-25 WO claimed
US-4831027-A USEFUL IN TREATMENT OF CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1989-05-16 US claimed
EP-0263352-A1 Imidazo-benzoxazinones, their preparation and medicaments containing these compounds Dr. Karl Thomae GmbH (DE) 1988-04-13 EP claimed

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-20220127303-A1 THERAPEUTICALLY ACTIVE STEROIDAL DERIVATIVES HSD17B11, NR5A1, CYP17A1 LMNA 2049/4885POLB 4418/4885CYP1A2 65/4885
US-20230331715-A1 SPIRO[3.3]HEPTANE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, NR1I3, NR1H4 LMNA 1803/4885POLB 1692/4885CYP1A2 41/4885
US-20040048895-A1 Caspase-1 inhibitors and methods for their use CASP1, CASP2, CASP9 LMNA 177/4885POLB 4140/4885CYP1A2 287/4885
US-20040229917-A1 Imidazole derivatives GRIK4, GRIA4, GRIK5 LMNA 4524/4885POLB 4532/4885CYP1A2 3311/4885
US-20240025884-A1 COMPOUNDS AS GCN2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF EIF2AK4, GCN1, GCGR LMNA 1854/4885POLB 2998/4885CYP1A2 1905/4885
US-20220162192-A1 INDAZOLES AS LRRK2 INHIBITORS LRRK2, PARK7, PINK1 LMNA 3893/4885POLB 3823/4885CYP1A2 2882/4885

“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.