SCHEMBL248853

SCHEMBL248853

Brc1nc2ccccc2n1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ NOS2 P35228 1/20 0.42
▸ ATM Q13315 1/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ TP53 P04637 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ GALR3 O60755 1/20 0.39
▸ NR2F2 P24468 1/20 0.39
▸ HTT P42858 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ PTPN2 P17706 1/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CXCR4 P61073 1/20 0.37

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
SCHEMBL28344786 0.79 SMN1; SMN2 (0.43) SMN1; SMN2NOS2ATMNPC1ALDH1A1
SCHEMBL19591078 0.76 SMN1; SMN2 (0.41) SMN1; SMN2NOS2ATMNPC1ALDH1A1
SCHEMBL4027582 0.76 SMN1; SMN2 (0.61) SMN1; SMN2NOS2ATMNPC1ALDH1A1
SCHEMBL2105815 0.76 SMN1; SMN2 (0.61) SMN1; SMN2ATMNPC1ALDH1A1RAB9A
SCHEMBL28295720 0.76 NOS2 (0.61) SMN1; SMN2NOS2NPC1RAB9APKM
SCHEMBL20143511 0.76 HTT (0.55) SMN1; SMN2NPC1ALDH1A1RAB9ATP53
SCHEMBL19044352 0.76 SMN1; SMN2 (0.41) SMN1; SMN2NOS2ATMNPC1ALDH1A1
SCHEMBL18083403 0.74 TSHR (0.50) SMN1; SMN2NOS2ATMNPC1ALDH1A1
SCHEMBL15835577 0.72 MAPK1 (0.61) NOS2ATMALDH1A1TSHRUSP2
SCHEMBL31061815 0.72 MAPK1 (0.61) NOS2ATMALDH1A1TSHRUSP2

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116003329-B T-type benzimidazole third-order nonlinear optical material, and preparation method and application thereof 浙江工业大学 2024-09-24 — — CN claimed
CN-114805215-B Fluorescent sensing material, preparation method thereof and application of fluorescent sensing material in aspect of detecting nerve agent with high sensitivity 中国科学院化学研究所 2023-11-28 — — CN claimed
CN-116003329-A T-type benzimidazole third-order nonlinear optical material, and preparation method and application thereof 浙江工业大学 2023-04-25 — — CN claimed
CN-114805215-A Fluorescent sensing material, preparation method thereof and application of fluorescent sensing material in high-sensitivity detection of nerve toxicant 中国科学院化学研究所 2022-07-29 — — CN claimed
CN-114805215-B Fluorescent sensing material, preparation method thereof and application of fluorescent sensing material in aspect of detecting nerve agent with high sensitivity 中国科学院化学研究所 2023-11-28 — — CN disclosed
CN-114805215-A Fluorescent sensing material, preparation method thereof and application of fluorescent sensing material in high-sensitivity detection of nerve toxicant 中国科学院化学研究所 2022-07-29 — — CN disclosed
US-20130131344-A1 ORGANO-METALLIC FRAMEWORKS DERIVED FROM CARBENOPHILIC METALS AND METHODS OF MAKING SAME BASF SE (DE) 2013-05-23 — — US disclosed
EP-2533898-A2 ORGANO-METALLIC FRAMEWORKS DERIVED FROM CARBENOPHILIC METALS AND METHOD OF MAKING SAME The Regents of the University of California (US) 2012-12-19 — — EP disclosed
US-20120259117-A1 ORGANO-METALLIC FRAMEWORKS AND METHODS OF MAKING SAME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-10-11 — — US disclosed
EP-2443133-A2 ORGANO-METALLIC FRAMEWORKS AND METHODS OF MAKING SAME The Regents of The University of California (US) 2012-04-25 — — EP disclosed
WO-2011146155-A9 ORGANO-METALLIC FRAMEWORKS DERIVED FROM CARBENOPHILIC METALS AND METHOD OF MAKING SAME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-01-05 — — WO disclosed
WO-2011146155-A2 ORGANO-METALLIC FRAMEWORKS DERIVED FROM CARBENOPHILIC METALS AND METHOD OF MAKING SAME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-11-24 — — WO disclosed
WO-2010148374-A2 ORGANO-METALLIC FRAMEWORKS AND METHODS OF MAKING SAME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-12-23 — — WO disclosed
US-7651746-B2 Halogenated bisdiarylaminopolycyclic aromatic compounds and polymers thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-01-26 — — US disclosed
US-20070126345-A1 Halogenated bisdiarylaminopolycylic aromatic compounds and polymers thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-06-07 — — US disclosed
WO-2005049546-A1 HALOGENATED BISDIARYLAMINOPOLYCYLIC AROMATIC COMPOUNDS AND POLYMERS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-06-02 — — 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-20120259117-A1 ORGANO-METALLIC FRAMEWORKS AND METHODS OF MAKING SAME HNRNPF, EPCAM, YTHDF2 SMN1; SMN2 469/4885NOS2 675/4885ATM 1605/4885
US-20130131344-A1 ORGANO-METALLIC FRAMEWORKS DERIVED FROM CARBENOPHILIC METALS AND METHODS OF MAKING SAME CA6, GZMB, PMS2 SMN1; SMN2 2277/4885NOS2 1278/4885ATM 3412/4885
US-20070126345-A1 Halogenated bisdiarylaminopolycylic aromatic compounds and polymers thereof AHR, AADAC, ARNT SMN1; SMN2 4864/4885NOS2 3595/4885ATM 2561/4885

“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.

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