SCHEMBL3354282

SCHEMBL3354282

O=[N+]([O-])c1ccc2cc(Br)cnc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
MAPT P10636 4/20 0.46
CYP3A4 P08684 2/20 0.45
LMNA P02545 2/20 0.45
NOS1 P29475 2/20 0.45
ALOX15 P16050 1/20 0.45
TXNRD1 Q16881 1/20 0.45
TXNRD3 Q86VQ6 1/20 0.45
TXNRD2 Q9NNW7 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
GPR35 Q9HC97 1/20 0.43
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
NAMPT P43490 1/20 0.42

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
SCHEMBL4816985 0.87 ALDH1A1 (0.54) ALDH1A1MAPTCYP3A4NOS1TXNRD1
SCHEMBL7260391 0.81 ALDH1A1 (0.51) ALDH1A1MAPTCYP3A4LMNANOS1
SCHEMBL29253977 0.80 ALDH1A1 (0.50) ALDH1A1MAPTCYP3A4LMNANOS1
SCHEMBL27637998 0.80 ALDH1A1 (0.63) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL10076711 0.80 ALDH1A1 (0.53) ALDH1A1MAPTCYP3A4LMNANOS1
SCHEMBL3376363 0.80 ALDH1A1 (0.50) ALDH1A1MAPTCYP3A4LMNANOS1
SCHEMBL3367818 0.80 ALDH1A1 (0.50) ALDH1A1MAPTCYP3A4LMNANOS1
SCHEMBL31067264 0.80 ALDH1A1 (0.50) ALDH1A1MAPTCYP3A4LMNANOS1
SCHEMBL29180901 0.77 ALDH1A1 (0.49) ALDH1A1MAPTCYP3A4LMNATXNRD1
SCHEMBL31696758 0.76 MAPT (0.48) ALDH1A1MAPTCYP3A4LMNANOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116655638-B Deuterated PRMT5 inhibitors 上海齐鲁制药研究中心有限公司 2024-01-26 CN disclosed
CN-117157297-A PRMT5 inhibitors 上海齐鲁制药研究中心有限公司 2023-12-01 CN disclosed
CN-116655638-A Deuterated PRMT5 inhibitors 上海齐鲁制药研究中心有限公司 2023-08-29 CN disclosed
WO-2023001133-A1 PRMT5 INHIBITOR 上海齐鲁制药研究中心有限公司 2023-01-26 WO disclosed
CN-108484495-B Synthetic method of 3-bromo-7-hydroxyquinoline 苏州康润医药有限公司 2021-05-04 CN disclosed
US-10745364-B2 Tetrahydronaphthyridine, benzoxazine, aza-benzoxazine and related bicyclic compounds for inhibition of RORgamma activity and the treatment of disease LYCERA CORPORATION (US) 2020-08-18 US disclosed
US-10745364-B2 Tetrahydronaphthyridine, benzoxazine, aza-benzoxazine and related bicyclic compounds for inhibition of RORgamma activity and the treatment of disease LYCERA CORPORATION (US) 2020-08-18 US disclosed
WO-2020021024-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF THE ARYL HYDROCARBON RECEPTOR (AHR) PHENEX PHARMACEUTICALS AG (DE) 2020-01-30 WO disclosed
US-20190292159-A1 TETRAHYDRONAPHTHYRIDINE, BENZOXAZINE, AZA-BENZOXAZINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME LLC 2019-09-26 US disclosed
US-20190292159-A1 TETRAHYDRONAPHTHYRIDINE, BENZOXAZINE, AZA-BENZOXAZINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME LLC 2019-09-26 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-8772320-B2 2014-07-08 US disclosed
US-8772320-B2 2014-07-08 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 EP disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 EP disclosed
CN-102958918-A Novel nicotinamide derivatives or salts thereof FUJIFILM CORP 2013-03-06 CN disclosed
WO-2012002577-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF 富士フイルム株式会社 (JP) 2012-01-05 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 (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-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, CD38, BTK ALDH1A1 1638/4885MAPT 4186/4885CYP3A4 4411/4885
US-10745364-B2 Tetrahydronaphthyridine, benzoxazine, aza-benzoxazine and related bicyclic compounds for inhibition of RORgamma activity and the treatment of disease RORB, RORA, RORC ALDH1A1 696/4885MAPT 3622/4885CYP3A4 117/4885
US-20190292159-A1 TETRAHYDRONAPHTHYRIDINE, BENZOXAZINE, AZA-BENZOXAZINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE RORB, RORA, RORC ALDH1A1 696/4885MAPT 3622/4885CYP3A4 117/4885

“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.