SCHEMBL7900372

SCHEMBL7900372

[CH2]C(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.63
CTSD P07339 1/20 0.59
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
TDP1 Q9NUW8 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
GAA P10253 2/20 0.50
HTT P42858 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.50
ALPL P05186 1/20 0.50
NCOA1 Q15788 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NCOA3 Q9Y6Q9 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL547216 0.83 ALDH1A1 (0.58) ALDH1A1CTSDCYP1A2CYP3A4CYP2D6
SCHEMBL10613860 0.83 ALDH1A1 (0.68) ALDH1A1CTSDCYP1A2CYP3A4CYP2D6
SCHEMBL975117 0.83 ALDH1A1 (0.68) ALDH1A1CTSDCYP1A2CYP3A4CYP2D6
SCHEMBL29696138 0.81 TSHR (0.67) ALDH1A1CTSDCYP1A2CYP3A4CYP2D6
SCHEMBL436389 0.81 ALDH1A1 (0.66) ALDH1A1CTSDCYP1A2CYP3A4CYP2D6
SCHEMBL30727560 0.81 TSHR (0.67) ALDH1A1CTSDCYP1A2CYP3A4CYP2D6
SCHEMBL78205 0.81 TSHR (0.67) ALDH1A1CTSDCYP1A2CYP3A4CYP2D6
SCHEMBL4078013 0.80 ALDH1A1 (0.64) ALDH1A1CTSDCYP1A2CYP3A4CYP2D6
SCHEMBL6971514 0.80 ALDH1A1 (0.76) ALDH1A1CTSDCYP1A2CYP3A4CYP2D6
SCHEMBL103644 0.79 CTSD (0.65) ALDH1A1CTSDCYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5041567-A Human and veterianary medicine; veneral diseases respiratory diseases, bovine mastitis BEECHAM GROUP PLC (GB) 1991-08-20 US claimed
US-4304717-A Process for the preparation of reactive penicillanic acid and cephalosporanic acid derivatives CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT (HU) 1981-12-08 US claimed
US-4092474-A Cephalosporins having a metaloxy group in 3-substituent SHIONOGI & CO., LTD. (JA) 1978-05-30 US claimed
US-3936447-A 7-Acylamino-desacetoxy-cephalosporanic acid esters and their production BAYER AKTIENGESELLSCHAFT (DT) 1976-02-03 US claimed
US-20230295157-A1 3-(1H-IMIDAZOL-2-YL)-2,3,8,8A-TETRAHYDROINDOLIZIN-5(1H)-ONE DERIVATIVES USEFUL AS FACTOR XIA INHIBITORS JANSSEN RESEARCH & DEVELOPMENT, LLC 2023-09-21 US disclosed
EP-4185588-A1 3-(1H-IMIDAZOL-2-YL)-2,3,8,8A-TETRAHYDROINDOLIZIN-5(1H)-ONE DERIVATIVES USEFUL AS FACTOR XIA INHIBITORS Janssen Pharmaceutica NV (BE) 2023-05-31 EP disclosed
CN-116134035-A 3- (1H-imidazol-2-yl) -2,3,8 a-tetrahydroindol-5 (1H) -one derivatives useful as factor XIA inhibitors 詹森药业有限公司 2023-05-16 CN disclosed
CN-104961771-B For treating cancer and the immune cell death inducer with autoimmune disease ABBVIE 公司 2018-02-02 CN disclosed
US-6183934-B1 FOE USE IN FORMATION OF PATTERN OF INSULATION FILM, PASSIVATION FILM, .ALPHA.-RAY SHIELDING FILM, OPTICAL WAVEGUIDE KABUSHIKI KAISHA TOSHIBA (JP) 2001-02-06 US disclosed
US-6001517-A A THERMOSETTING POLYMER WHICH CAN BE CURED THROUGH CYCLODEHYDRATION UPON HEATING AND A CURE ACCELERATOR WHICH CAN BE DEACTIVATED OF ITS CURE ACCELERATION PROPERTY BY IRRIDIATION OF LIGHT KABUSHIKI KAISHA TOSHIBA (JP) 1999-12-14 US disclosed
EP-0237027-B1 6-(DISUBSTITUTED AMINO) CARBAPENAM COMPOUNDS Sanraku Incorporated (JP) 1992-06-10 EP disclosed
US-5041567-A Human and veterianary medicine; veneral diseases respiratory diseases, bovine mastitis BEECHAM GROUP PLC (GB) 1991-08-20 US disclosed
US-4183855-A INTERMEDIATES FOR PREPARATION OF THE BACTERICIDE, 1-OXADETHIA-CEPHALOSPORIN SHIONOGI & CO., LTD. (JP) 1980-01-15 US disclosed
US-4183928-A Haloarylmalonamidooxacephalosporins SHIONOGI AND CO., LTD. (JP) 1980-01-15 US disclosed
US-4180571-A Arylmalonamido-1-oxadethiacephalosporins SHIONOGI & CO., LTD. (JP) 1979-12-25 US disclosed
US-4159984-A METAL AND PROTON DONOR SHIONOGI & CO., LTD. (JP) 1979-07-03 US disclosed
US-4138486-A BACTERICIDES SHIONOGI & CO., LTD. (JP) 1979-02-06 US disclosed
US-4092474-A Cephalosporins having a metaloxy group in 3-substituent SHIONOGI & CO., LTD. (JA) 1978-05-30 US disclosed
US-3971825-A (5,6) (10,11) BIS-METHYLENE, BRONCHODILATORS SANKYO COMPANY LIMITED (JA) 1976-07-27 US disclosed
US-3936447-A 7-Acylamino-desacetoxy-cephalosporanic acid esters and their production BAYER AKTIENGESELLSCHAFT (DT) 1976-02-03 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-20230295157-A1 3-(1H-IMIDAZOL-2-YL)-2,3,8,8A-TETRAHYDROINDOLIZIN-5(1H)-ONE DERIVATIVES USEFUL AS FACTOR XIA INHIBITORS SERPINC1, F11, TFPI2 ALDH1A1 2661/4885CTSD 918/4885CYP1A2 714/4885

“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.