SCHEMBL21531337

SCHEMBL21531337

N#Cc1ccc(-c2ccc3cc(Br)ccc3c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.50
PGR P06401 1/20 0.50
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46
CYP17A1 P05093 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
MMP3 P08254 1/20 0.45
CYP2A6 P11509 1/20 0.43
KIF11 P52732 3/20 0.42
RIPK1 Q13546 1/20 0.41

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
SCHEMBL1389428 0.89 CYP11B1 (0.54) HRH3PGRCYP11B1CYP11B2CYP17A1
SCHEMBL22127111 0.87 CYP11B1 (0.45) HRH3PGRCYP11B1CYP11B2CYP17A1
SCHEMBL22155099 0.85 PGR (0.44) HRH3PGRCYP11B1CYP11B2CYP17A1
SCHEMBL744467 0.84 CYP2A6 (0.50) CYP11B1CYP11B2CYP17A1MAOAMAOB
SCHEMBL1773406 0.81 MAOB (0.64) CYP11B2MAOAMAOBMMP3CYP2A6
SCHEMBL4659246 0.81 CYP11B1 (0.57) CYP11B1CYP11B2CYP2A6
SCHEMBL15496905 0.81 MAOB (0.64) CYP11B2MAOAMAOBMMP3CYP2A6
SCHEMBL16520506 0.81 CYP2A6 (0.62) CYP11B1CYP11B2CYP2A6
SCHEMBL16939642 0.81 AHR (0.45) CYP11B1CYP11B2CYP17A1MAOAMAOB
SCHEMBL3225363 0.80 ESR1 (0.55) HRH3PGRCYP11B1CYP11B2CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11746093-B2 Nitrogen-containing compound, electronic element, and electronic device SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-09-05 US disclosed
US-11746093-B2 Nitrogen-containing compound, electronic element, and electronic device SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-09-05 US disclosed
US-20230192627-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-06-22 US disclosed
US-20230192627-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-06-22 US disclosed
US-11618722-B2 Compound, composition, organic electroluminescent element, and electronic appliance IDEMITSU KOSAN CO., LTD. (JP) 2023-04-04 US disclosed
US-11296282-B2 Organic compound and organic electroluminescence device using the same LUMINESCENCE TECHNOLOGY CORP. (TW) 2022-04-05 US disclosed
US-20200203632-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME LUMINESCENCE TECHNOLOGY CORPORATION (TW) 2020-06-25 US disclosed
US-20190337872-A1 COMPOUND, COMPOSITION, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC APPLIANCE IDEMITSU KOSAN CO.,LTD. (JP) 2019-11-07 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 (6 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-11746093-B2 Nitrogen-containing compound, electronic element, and electronic device SLC43A1, SLC7A5, L1CAM HRH3 1531/4885PGR 3470/4885CYP11B1 3598/4885
US-11296282-B2 Organic compound and organic electroluminescence device using the same SLCO4C1, EML4, SLCO2A1 HRH3 3818/4885PGR 3690/4885CYP11B1 1279/4885
US-20190337872-A1 COMPOUND, COMPOSITION, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC APPLIANCE FGF23, SUZ12, RPL24 HRH3 948/4885PGR 3984/4885CYP11B1 2059/4885
US-11618722-B2 Compound, composition, organic electroluminescent element, and electronic appliance FGF23, SUZ12, RPL24 HRH3 948/4885PGR 3984/4885CYP11B1 2059/4885
US-20200203632-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME SLCO4C1, EML4, SLCO2A1 HRH3 3818/4885PGR 3690/4885CYP11B1 1279/4885
US-20230192627-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE SLC43A1, SLC7A5, L1CAM HRH3 1531/4885PGR 3470/4885CYP11B1 3598/4885

“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.