SCHEMBL7103655

SCHEMBL7103655

Cc1cc(C=O)c(C)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.52
CYP3A4 P08684 3/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
ALOX15 P16050 1/20 0.47
PRKDC P78527 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TSHR P16473 3/20 0.47
ERN1 O75460 4/20 0.45
CYP1A2 P05177 2/20 0.43
LMNA P02545 1/20 0.42
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
TDP1 Q9NUW8 2/20 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
SCHEMBL7555323 0.89 TSHR (0.50) GPR35CYP3A4MAPTALDH1A1KDM4E
SCHEMBL10013940 0.81 GPR35 (0.69) GPR35MAPTERN1LMNA
SCHEMBL7101305 0.81 ERN1 (0.65) GPR35CYP3A4MAPTALDH1A1KDM4E
SCHEMBL15776986 0.81 MAPT (0.47) CYP3A4MAPTALDH1A1KDM4EALOX15
SCHEMBL15776593 0.81 CYP3A4 (0.45) GPR35CYP3A4MAPTALDH1A1KDM4E
SCHEMBL260768 0.81 GPR35 (0.67) GPR35CYP3A4MAPTALDH1A1KDM4E
SCHEMBL13883997 0.78 GPR35 (0.57) GPR35CYP3A4MAPTALDH1A1KDM4E
SCHEMBL19785896 0.78 CYP3A4 (0.41) CYP3A4MAPTALDH1A1KDM4EALOX15
Benzene SCHEMBL27490159 0.77 GPR35 (0.61) GPR35CYP3A4MAPTALDH1A1KDM4E
SCHEMBL3017185 0.77 TSHR (0.62) GPR35CYP3A4MAPTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109476653-B Heteroaromatic modulators of retinoid-related orphan receptor gamma 利奥制药有限公司 2022-04-22 CN disclosed
US-10934282-B2 Heteroaromatic modulators of the retinoid-related orphan receptor gamma LEO PHARMA A/S (DK) 2021-03-02 US disclosed
US-10934282-B2 Heteroaromatic modulators of the retinoid-related orphan receptor gamma LEO PHARMA A/S (DK) 2021-03-02 US disclosed
US-20200291010-A1 HETEROAROMATIC MDOULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA LEO PHARMA A/S 2020-09-17 US disclosed
US-20200291010-A1 HETEROAROMATIC MDOULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA LEO PHARMA A/S 2020-09-17 US disclosed
EP-3484880-B1 HETEROAROMATIC MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA LEO PHARMA AS (DK) 2020-09-02 EP disclosed
EP-3484880-B1 HETEROAROMATIC MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA LEO PHARMA AS (DK) 2020-09-02 EP disclosed
EP-2906216-B1 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS KUMAR AJAY (GB) 2020-06-24 EP disclosed
US-10662181-B2 Heteroaromatic modulators of the retinoid-related orphan receptor gamma LEO PHARMA A/S (DK) 2020-05-26 US disclosed
US-10662181-B2 Heteroaromatic modulators of the retinoid-related orphan receptor gamma LEO PHARMA A/S (DK) 2020-05-26 US disclosed
US-9643979-B2 Inhibitors of DNA gyrase for the treatment of bacterial infections VITAS PHARMA RESEARCH PRIVATE LIMITED (IN) 2017-05-09 US disclosed
US-20150284408-A1 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS KUMAR, AJAY, DR. (GB) 2015-10-08 US disclosed
WO-2015131200-A1 SMALL MOLECULE XANTHINE OXIDASE INHIBITORS AND METHODS OF USE BAYLOR COLLEGE OF MEDICINE (US) 2015-09-03 WO disclosed
EP-2906216-A2 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS Vitas Pharma Research Private Limited (IN) 2015-08-19 EP disclosed
WO-2014057415-A2 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS VITAS PHARMA RESEARCH PVT LTD (IN) 2014-04-17 WO disclosed
US-20030073850-A1 4-Imidazole derivatives of benzyl and restricted benzyl sulfonamides, sulfamides, ureas, carbamates, and amides and their use ABBOTT LABORATORIES 2003-04-17 US disclosed
EP-1259491-A1 4-IMIDAZOLE DERIVATIVES OF BENZYL AND RESTRICTED BENZYL SULFONAMIDES, SULFAMIDES, UREAS, CARBAMATES AND AMIDES AND THEIR USE AS ALPHA-1A AGONISTS Abbott Laboratories (US) 2002-11-27 EP disclosed
WO-2001060802-A1 4-IMIDAZOLE DERIVATIVES OF BENZYL AND RESTRICTED BENZYL SULFONAMIDES, SULFAMIDES, UREAS, CARBAMATES, AND AMIDES AND THEIR USE AS ALPHA-1A AGONISTS ABBOTT LABORATORIES (US) 2001-08-23 WO disclosed
US-4444776-A ANTITUMOR, ANTIVIRAL AGENCE NATIONALE DE VALORISATION DE LA RECHERCHE (A N V A R) (FR) 1984-04-24 US disclosed
US-4266060-A ANTITUMOR ANTIVIRAL AGENTS FOR TREATMENT OF CANCER AGENCE NATIONALE DE VAL ORISATION DE LA RECHERCHE (ANVAR) (FR) 1981-05-05 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 (5 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-20030073850-A1 4-Imidazole derivatives of benzyl and restricted benzyl sulfonamides, sulfamides, ureas, carbamates, and amides and their use ADRA1D, ADRB1, ADRA1A GPR35 612/4885CYP3A4 720/4885MAPT 4075/4885
US-20200291010-A1 HETEROAROMATIC MDOULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA RXRA, RORA, NR1H3 GPR35 180/4885CYP3A4 396/4885MAPT 4660/4885
US-20150284408-A1 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS TOP1, TOP2A, DNASE1 GPR35 4260/4885CYP3A4 1533/4885MAPT 3965/4885
US-10934282-B2 Heteroaromatic modulators of the retinoid-related orphan receptor gamma RXRA, RXRG, RXRB GPR35 154/4885CYP3A4 313/4885MAPT 4779/4885
US-10662181-B2 Heteroaromatic modulators of the retinoid-related orphan receptor gamma RXRA, RXRG, RXRB GPR35 154/4885CYP3A4 313/4885MAPT 4779/4885

“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.