SCHEMBL1206321

SCHEMBL1206321

Cc1ccc2cc(CBr)ccc2n1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.57
KDM4E B2RXH2 2/20 0.53
LMNA P02545 1/20 0.53
POLB P06746 1/20 0.53
CASP6 P55212 1/20 0.53
KCNH2 Q12809 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
PDE10A Q9Y233 10/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
HCAR2 Q8TDS4 1/20 0.41
KDM1A O60341 1/20 0.40

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
SCHEMBL29518266 1.00 CYP1A2 (0.57) CYP1A2KDM4ELMNAPOLBCASP6
SCHEMBL17221732 0.86 CYP1A2 (0.55) CYP1A2KDM4ELMNAPOLBCASP6
SCHEMBL27787814 0.85 CYP1A2 (0.53) CYP1A2KDM4ELMNAPOLBCASP6
SCHEMBL21618429 0.84 CYP1A2 (0.61) CYP1A2KDM4ELMNAPOLBCASP6
SCHEMBL10234988 0.82 CYP1A2 (0.59) CYP1A2KDM4ELMNAPOLBCASP6
SCHEMBL31428884 0.81 CYP1A2 (0.57) CYP1A2KDM4ELMNAPOLBCASP6
SCHEMBL554539 0.81 CYP1A2 (0.57) CYP1A2KDM4ELMNAPOLBCASP6
SCHEMBL30647549 0.81 CYP1A2 (0.57) CYP1A2KDM4ELMNAPOLBCASP6
SCHEMBL15287165 0.81 KDM4E (0.58) CYP1A2KDM4ELMNAPOLBCASP6
SCHEMBL554745 0.81 CYP1A2 (0.57) CYP1A2KDM4ELMNAPOLBCASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240391940-A1 FUSED RING-CONTAINING COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME GENEROS BIOPHARMA LTD. (GB) 2024-11-28 US disclosed
EP-4234544-A1 FUSED RING-CONTAINING COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME Generos Biopharma Ltd. (KY) 2023-08-30 EP disclosed
EP-4234544-A1 FUSED RING-CONTAINING COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME Generos Biopharma Ltd. (KY) 2023-08-30 EP disclosed
CN-116457347-A Compound containing condensed rings, application thereof and composition containing compound 健艾仕生物医药有限公司 2023-07-18 CN disclosed
CN-114478482-A Compound containing condensed ring, application thereof and composition containing compound 健艾仕生物医药有限公司 2022-05-13 CN disclosed
WO-2022083731-A1 FUSED RING-CONTAINING COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME 健艾仕生物医药有限公司 2022-04-28 WO disclosed
WO-2022083731-A1 FUSED RING-CONTAINING COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME 健艾仕生物医药有限公司 2022-04-28 WO disclosed
EP-3368529-B1 HETEROARYLCARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2022-04-06 EP disclosed
US-10399961-B2 Heteroarylcarboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-09-03 US disclosed
CN-105143201-B Benzyl amine derivative 卡尔维斯塔制药有限公司 2019-02-22 CN disclosed
US-20100035908-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA (DK) 2010-02-11 US disclosed
EP-2125736-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS Leo Pharma A/S (DK) 2009-12-02 EP disclosed
WO-2009073620-A2 IDO INHIBITORS NEWLINK GENETICS (US) 2009-06-11 WO disclosed
US-20090018163-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders BRISTOL-MYERS SQUIBB COMPANY 2009-01-15 US disclosed
WO-2009009633-A1 SUBSTITUTED HETEROCYCLIC ETHERS AND THEIR USE IN CNS DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-15 WO disclosed
WO-2008077404-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA A/S (DK) 2008-07-03 WO disclosed
US-20070208033-A1 For use as antimetastatic agent or antiviral agent for HIV infection; N-(4-dipropylaminomethylphenyl)-4-{[(1H-imidazol-2-ylmethyl)-(1-methyl-1H-imidazol-2-ylmethyl)-amino]-methyl}-benzamide; chemokine receptor CXCR4 antagonists KUREHA CORPORATION (JP) 2007-09-06 US disclosed
US-7176227-B2 For example, N-(4-{[bis(1H-imidazol-2-ylmethyl)-amino]-methyl}-benzyl)-N',N'-dipropylbutane-1,4-diamine; efficacious against diseases such as infection with HIV virus, rheumatism, and cancer metastasis KUREHA CORPORATION (JP) 2007-02-13 US disclosed
US-20050165063-A1 Amine compounds and use thereof KUREHA CHEMICAL INDUSTRY COMPANY, LIMITED. (JP) 2005-07-28 US disclosed
EP-1550657-A1 AMINE COMPOUNDS AND USE THEREOF Kureha Chemical Industry Co., Ltd. (JP) 2005-07-06 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 (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-20100035908-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS PDE4A, PDE4B, PDE3B CYP1A2 282/4885KDM4E 772/4885LMNA 1778/4885
US-20050165063-A1 Amine compounds and use thereof NR0B2, NR5A2, NR1H4 CYP1A2 81/4885KDM4E 2589/4885LMNA 3988/4885
US-20090018163-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders CNR1, CNR2, PMP22 CYP1A2 6/4885KDM4E 539/4885LMNA 2814/4885
US-10399961-B2 Heteroarylcarboxamide derivatives as plasma kallikrein inhibitors KLKB1, BDKRB1, BDKRB2 CYP1A2 1772/4885KDM4E 1026/4885LMNA 569/4885
US-20240391940-A1 FUSED RING-CONTAINING COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME STAT5A, STAT5B, JAK2 CYP1A2 3328/4885KDM4E 1526/4885LMNA 4799/4885
US-20070208033-A1 For use as antimetastatic agent or antiviral agent for HIV infection; N-(4-dipropylaminomethylphenyl)-4-{[(1H-imidazol-2-ylmethyl)-(1-methyl-1H-imidazol-2-ylmethyl)-amino]-methyl}-benzamide; chemokine receptor CXCR4 antagonists CXCR4, CXCR6, CCR5 CYP1A2 689/4885KDM4E 2675/4885LMNA 4599/4885

“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.