SCHEMBL1304745

SCHEMBL1304745

Brc1ccc(C(Br)Br)c(C(Br)Br)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.37
AHR P35869 3/20 0.35
ALOX15 P16050 1/20 0.35
NR4A2 P43354 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HSP90AA1 P07900 1/20 0.33
TLR9 Q9NR96 1/20 0.33
S100A4 P26447 1/20 0.33
PTPRC P08575 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
METAP2 P50579 3/20 0.32
DYRK1A Q13627 2/20 0.32
NOS1 P29475 2/20 0.32
JAK2 O60674 2/20 0.32
BCL2 P10415 1/20 0.32
MCL1 Q07820 1/20 0.32
CHEK1 O14757 1/20 0.32
AURKA O14965 1/20 0.32

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
SCHEMBL29682017 1.00 CYP2A6 (0.37) CYP2A6AHRALOX15NR4A2ALDH1A1
SCHEMBL1539492 0.81 HSP90AA1 (0.42) CYP2A6AHRALOX15NR4A2ALDH1A1
SCHEMBL1569950 0.77 MAPK1 (0.36) CYP2A6AHRNR4A2ALDH1A1MAPK1
SCHEMBL15056090 0.77 DGAT1 (0.36) CYP2A6AHRALOX15NR4A2ALDH1A1
SCHEMBL3872105 0.77 APLNR (0.44) CYP2A6AHRNR4A2ALDH1A1KMT2A
SCHEMBL24416900 0.77 MAOB (0.39) CYP2A6AHRNR4A2ALDH1A1MAPK1
SCHEMBL1539565 0.74 GPR84 (0.33) ALDH1A1
SCHEMBL1683312 0.74 GPR84 (0.33) CSNK2A1GABRA1GABRB1
SCHEMBL396064 0.74 MAOB (0.44) CYP2A6AHRNR4A2NOS1MCL1
SCHEMBL2061830 0.72 GAA (0.41) ALOX15ALDH1A1MAPK1TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250100960-A1 NAPHTHALENE AND QUINOLINE ANALOGS AS RXFP1 AGONISTS BRISTOL MYERS SQUIBB CO (US) 2025-03-27 US disclosed
EP-4448504-A1 NAPHTHALENE AND QUINOLINE ANALOGS AS RXFP1 AGONISTS Bristol-Myers Squibb Company (US) 2024-10-23 EP disclosed
WO-2023114818-A1 NAPHTHALENE AND QUINOLINE ANALOGS AS RXFP1 AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-06-22 WO disclosed
WO-2016100754-A1 QUANTITATIVE INTRAMOLECULAR FISSION IN OLIGOACENES, MATERIALS, AND METHODS OF USE THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-06-23 WO disclosed
EP-2482354-A1 Thin film transistor comprising novel conductor and dielectric compositions E. I. du Pont de Nemours and Company (US) 2012-08-01 EP disclosed
EP-2482355-A1 Thin film transistor comprising novel conductor and dielectric compositions E. I. du Pont de Nemours and Company (US) 2012-08-01 EP disclosed
EP-2482354-A1 Thin film transistor comprising novel conductor and dielectric compositions E. I. du Pont de Nemours and Company (US) 2012-08-01 EP disclosed
EP-2482355-A1 Thin film transistor comprising novel conductor and dielectric compositions E. I. du Pont de Nemours and Company (US) 2012-08-01 EP disclosed
US-8053840-B2 Thin film transistor comprising novel conductor and dielectric compositions E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-11-08 US disclosed
US-8053840-B2 Thin film transistor comprising novel conductor and dielectric compositions E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-11-08 US disclosed
US-5110968-A NAPHTHALOCYANINE DERIVATIVES, PRODUCTION THEREOF, OPTICAL RECORDING MEDIUM USING THE SAME, AND PRODUCTION THEREOF HITACHI, CHEMICAL COMPANY LTD. (JP) 1992-05-05 US disclosed
US-5075203-A Containing sulfone groups; absorbers of laser beams HITACHI CHEMICAL COMPANY, LTD. (JP) 1991-12-24 US disclosed
US-5039600-A Solubility in organic solvents, absorption of semiconductor laser light HITACHI CHEMICAL COMPANY, LTD. (JP) 1991-08-13 US disclosed
US-5034309-A Used for forming a recording layer HITACHI CHEMICAL CO., LTD. (JP) 1991-07-23 US disclosed
EP-0378336-A1 Naphthalocyanine derivatives, production thereof, optical recording medium using the same, and production thereof Hitachi Chemical Co., Ltd. (JP) 1990-07-18 EP disclosed
EP-0366440-A2 Naphthalocyanine derivatives, production thereof, optical recording medium using the same, and production thereof Hitachi Chemical Co., Ltd. (JP) 1990-05-02 EP disclosed
EP-0357360-A2 Naphthalocyanine derivatives, production thereof and optical recording medium using the same Hitachi Chemical Co., Ltd. (JP) 1990-03-07 EP disclosed
EP-0296876-A2 Naphthalocyanine derivatives and their use in optical recording medium Hitachi Chemical Co., Ltd. (JP) 1988-12-28 EP disclosed
US-4419368-A 2,2,3,3-TETRAHYDROXY- SYNTEX (U.S.A.) INC. (US) 1983-12-06 US disclosed
US-4229478-A Naphthaquinone anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1980-10-21 US 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 (1 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-20250100960-A1 NAPHTHALENE AND QUINOLINE ANALOGS AS RXFP1 AGONISTS RXFP1, RXFP2, RXFP3 CYP2A6 2264/4885AHR 203/4885ALOX15 1598/4885

“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.