SCHEMBL627966

SCHEMBL627966

O=[N+]([O-])c1cc(CBr)ccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 14/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ KDM1A O60341 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL22440609 0.86 ALDH1A1 (0.49) VCAM1ALDH1A1KDM4EPOLBKDM1A
SCHEMBL31667740 0.85 TSHR (0.58) VCAM1ALDH1A1POLBTDP1
SCHEMBL1868568 0.85 TSHR (0.58) VCAM1ALDH1A1POLBTDP1
SCHEMBL4520586 0.83 VCAM1 (0.53) VCAM1ALDH1A1KDM4EPOLBKDM1A
SCHEMBL1117240 0.82 TSHR (0.50) ALDH1A1POLBTDP1
SCHEMBL671271 0.81 VCAM1 (0.54) VCAM1ALDH1A1KDM4EPOLBKDM1A
SCHEMBL811582 0.81 VCAM1 (0.54) VCAM1ALDH1A1KDM4EPOLB
SCHEMBL18653119 0.81 VCAM1 (0.51) VCAM1ALDH1A1KDM4EPOLBKDM1A
SCHEMBL29707970 0.81 VCAM1 (0.56) VCAM1ALDH1A1KDM4EPOLBKDM1A
SCHEMBL27311122 0.81 VCAM1 (0.51) VCAM1ALDH1A1KDM4EPOLBKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9278922-B2 Anti-viral compounds ABBVIE INC. (US) 2016-03-08 — — US disclosed
EP-2419404-B1 ANTI-VIRAL COMPOUNDS ABBVIE INC (US) 2015-11-04 — — EP disclosed
EP-2419404-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2012-02-22 — — EP disclosed
WO-2010120935-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2010-10-21 — — WO disclosed
US-20100267634-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-10-21 — — US disclosed
US-7514411-B2 Acylated benzylmaltosides as inhibitors of smooth muscle cell proliferation WYETH (US) 2009-04-07 — — US disclosed
EP-0887346-B1 N-Phenyl-alkylsulfonamide derivatives, their preparation and their use as alpha1A/1L adrenoceptor agonists HOFFMANN LA ROCHE (CH) 2007-12-12 — — EP disclosed
US-20070010529-A1 Nitrogenous heterocyclic compounds and medical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-11 — — US disclosed
US-20060276429-A1 Acylated benzylmaltosides as inhibitors of smooth muscle cell proliferation WYETH (US) 2006-12-07 — — US disclosed
US-7132402-B2 Acylated benzylmaltosides as inhibitors of smooth muscle cell proliferation WYETH (US) 2006-11-07 — — US disclosed
US-6248770-B1 CARDIOVASCULAR DISORDERS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-06-19 — — US disclosed
EP-1095025-A2 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM KG (DE) 2001-05-02 — — EP disclosed
EP-1080069-A1 ANTHRANILIC ACID DERIVATIVES AS INHIBITORS OF THE CGMP-PHOSPHODIESTERASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-07 — — EP disclosed
WO-2000034295-A2 ACYLATED BENZYLMALTOSIDES AS INHIBITORS OF SMOOTH MUSCLE CELL PROLIFERATION AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 — — WO disclosed
WO-2000031096-A1 ACETAL BENZYLMALTOSIDES AS INHIBITORS OF SMOOTH MUSCLE CELL PROLIFERATION AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-02 — — WO disclosed
US-6057349-A ALPHA.SUB.1A/1L AGONISTS USED IN THE TREATMENT OF VARIOUS DISEASE STATES SUCH AS URINARY INCONTINENCE, NASAL CONGESTION, PRIAPISM, DEPRESSION, ANXIETY, DEMENTIA, SENILITY, ALZHEIMER'S, DEFICIENCIES IN ATTENTIVENESS AND COGNITION, AND F. HOFFMAN LA ROCHE AG (CH) 2000-05-02 — — US disclosed
WO-2000001704-A2 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-01-13 — — WO disclosed
WO-1999054284-A1 ANTHRANILIC ACID DERIVATIVES AS INHIBITORS OF THE CGMP-PHOSPHODIESTERASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-28 — — WO disclosed
US-5952362-A INHIBITOR OF GLYCOGEN PHOSPHORYLASE ENZYMETIC ACTIVITY AND GLUCOSE ACITIVITY SYNTEX (U.S.A) INC. (US) 1999-09-14 — — US disclosed
EP-0887346-A2 Phenyl-and aminophenyl-alkylsulfonamide and urea derivatives, their preparation and their use as alpha1A/1L adrenoceptor agonists F. HOFFMANN-LA ROCHE AG (CH) 1998-12-30 — — 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 (3 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-20100267634-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS VCAM1 931/4885ALDH1A1 2858/4885KDM4E 2318/4885
US-20070010529-A1 Nitrogenous heterocyclic compounds and medical use thereof MAPK1, NOS1, NOS2 VCAM1 838/4885ALDH1A1 1694/4885KDM4E 4309/4885
US-20060276429-A1 Acylated benzylmaltosides as inhibitors of smooth muscle cell proliferation MYLK, TNNI3, MYLK2 VCAM1 1157/4885ALDH1A1 3704/4885KDM4E 410/4885

“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.

Send feedback