SCHEMBL5581682

SCHEMBL5581682

CC(N)c1ccccc1I

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
NFKB1 P19838 1/20 0.45
PNMT P11086 1/20 0.45
LMNA P02545 3/20 0.43
ALDH1A1 P00352 2/20 0.43
GLA P06280 1/20 0.43
ADRA2A P08913 1/20 0.38
ADRA2C P18825 1/20 0.38
HIF1A Q16665 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35
TAAR1 Q96RJ0 3/20 0.34
SLC6A2 P23975 2/20 0.34
MAOA P21397 1/20 0.34
SLC6A4 P31645 1/20 0.34

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
SCHEMBL287535 1.00 CYP2D6 (0.45) CYP2D6CYP1A2CYP3A4NFKB1PNMT
SCHEMBL1711365 1.00 CYP2D6 (0.45) CYP2D6CYP1A2CYP3A4NFKB1PNMT
Water SCHEMBL11017550 0.98 CYP2D6 (0.43) CYP2D6CYP1A2CYP3A4NFKB1PNMT
SCHEMBL10886657 0.93 CYP2D6 (0.41) CYP2D6CYP1A2CYP3A4NFKB1PNMT
SCHEMBL7198639 0.82 KDM4E (0.52) CYP2D6CYP3A4NFKB1LMNAALDH1A1
SCHEMBL27218519 0.81 DPP4 (0.33) CYP2D6CYP1A2CYP3A4NFKB1PNMT
SCHEMBL11295470 0.81 DPP4 (0.33) CYP2D6CYP1A2CYP3A4NFKB1PNMT
SCHEMBL30678523 0.81 CYP2D6 (0.54) CYP2D6CYP1A2CYP3A4NFKB1PNMT
SCHEMBL14395925 0.81 CYP2D6 (0.54) CYP2D6CYP1A2CYP3A4NFKB1PNMT
SCHEMBL30678522 0.81 CYP2D6 (0.54) CYP2D6CYP1A2CYP3A4NFKB1PNMT

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-113061313-A Flexible perovskite scintillator thick film and preparation method thereof 华中科技大学 2021-07-02 CN claimed
EP-0108813-A1 GRAFTED CHROMATOGRAPHIC FILLER AND METHOD FOR ANALYZING ENANTIOMER MIXTURE USING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-05-23 EP claimed
US-20240140971-A1 PSMA TARGETED RADIOHALOGENATED UREAS FOR CANCER RADIOTHERAPY THE JOHNS HOPKINS UNIVERSTY 2024-05-02 US disclosed
CN-109461820-B Two-dimensional lead-free organic-inorganic hybrid perovskite diode photodetector and preparation method thereof 天津理工大学 2022-05-13 CN disclosed
CN-113061313-A Flexible perovskite scintillator thick film and preparation method thereof 华中科技大学 2021-07-02 CN disclosed
US-20200231614-A1 PSMA TARGETED RADIOHALOGENATED UREAS FOR CANCER RADIOTHERAPY THE JOHNS HOPKINS UNIVERSITY 2020-07-23 US disclosed
WO-2017070482-A2 PSMA TARGETED RADIOHALOGENATED UREAS FOR CANCER RADIOTHERAPY THE JOHNS HOPKINS UNIVERSITY (US) 2017-04-27 WO disclosed
US-20070134772-A1 Thermostable Omega-Transaminases CAMBREX KARISKOGA AB 2007-06-14 US disclosed
EP-1295862-A1 INTERMEDIATE AND PROCESS FOR PRODUCING FLUORINATED CARBOXYLIC ACID DERIVATIVE FROM THE SAME TAISHO PHARMACEUTICAL CO., LTD (JP) 2003-03-26 EP disclosed
US-6054594-A Process for the production of enantiomerically enriched N-acylazetidine-2-carboxylic acids ASTRA AB (SE) 2000-04-25 US disclosed
CN-1012644-B Process for preparing flavanone derivatives MERCK PATENT GES MITBESCHRANKT (DE) 1991-05-22 CN disclosed
WO-1989001342-A2 DIAGNOSTIC OR RADIOTHERAPEUTIC COMPOSITION COMPRISING A HYDROGEN CONTAINING COMPOUND MALLINCKRODT, INC. (US) 1989-02-23 WO disclosed
EP-0246002-A2 Alkenamide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-11-19 EP disclosed
EP-0098892-B1 PROCESS FOR PREPARING 1,5-BENZOTHIAZEPINE DERIVATIVES Tanabe Seiyaku Co., Ltd. (JP) 1987-10-28 EP disclosed
CN-85105079-A The preparation of flavanone derivative 1987-01-28 CN disclosed
EP-0072259-B1 AMINONAPHTHACENE DERIVATIVES, THEIR PRODUCTION AND ANTI-TUMOR OR ANTI-MICROBIAL COMPOSITIONS CONTAINING THEM SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-11-21 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-20200231614-A1 PSMA TARGETED RADIOHALOGENATED UREAS FOR CANCER RADIOTHERAPY PSMA7, PSMA6, PSMA1 CYP2D6 4415/4885CYP1A2 4363/4885CYP3A4 3690/4885
US-20070134772-A1 Thermostable Omega-Transaminases FADS2, SCD, CES1 CYP2D6 229/4885CYP1A2 277/4885CYP3A4 194/4885
US-20240140971-A1 PSMA TARGETED RADIOHALOGENATED UREAS FOR CANCER RADIOTHERAPY PSMA3, PSMA6, PSMA7 CYP2D6 4250/4885CYP1A2 3968/4885CYP3A4 3236/4885

“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.