SCHEMBL9033491

SCHEMBL9033491

O=C(O)Cc1c(Cl)cccc1[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.67
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 1/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C19 P33261 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LMNA P02545 1/20 0.46
GPR35 Q9HC97 1/20 0.46
HPGD P15428 3/20 0.45
MAPT P10636 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CYP1A2 P05177 3/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL16585312 0.90 AKR1B1 (0.53) AKR1B1ALDH1A1KDM4ECYP3A4CYP2D6
SCHEMBL9450310 0.88 AKR1B1 (0.50) AKR1B1ALDH1A1KDM4ECYP3A4CYP2D6
SCHEMBL3535123 0.87 GPR35 (0.54) AKR1B1ALDH1A1GPR35MAPTCYP1A2
SCHEMBL10509809 0.87 AKR1B1 (0.49) AKR1B1ALDH1A1KDM4ECYP3A4CYP2D6
SCHEMBL10509812 0.87 AKR1B1 (0.49) AKR1B1ALDH1A1KDM4ECYP3A4CYP2D6
SCHEMBL21519389 0.83 ALDH1A1 (0.49) AKR1B1ALDH1A1KDM4ECYP3A4CYP2D6
SCHEMBL5681342 0.82 ALDH1A1 (0.51) AKR1B1ALDH1A1KDM4ECYP3A4CYP2D6
SCHEMBL3722295 0.82 AKR1B1 (0.47) AKR1B1ALDH1A1KDM4ECYP3A4CYP2D6
SCHEMBL6781270 0.82 AKR1B1 (0.47) AKR1B1ALDH1A1KDM4ECYP3A4CYP2D6
SCHEMBL109215 0.81 AKR1B1 (1.00) AKR1B1KDM4ECYP3A4CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3204359-B1 TETRAHYDROISOQUINOLINE DERIVATIVES UCB Biopharma SRL (BE) 2020-07-01 EP disclosed
US-10105359-B2 Tetrahydroisoquinoline derivatives UCB BIOPHARMA SPRL (BE) 2018-10-23 US disclosed
US-20170304292-A1 Tetrahydroisoquinoline Derivatives UCB BIOPHARMA SPRL (BE) 2017-10-26 US disclosed
US-20170304292-A1 Tetrahydroisoquinoline Derivatives UCB BIOPHARMA SPRL (BE) 2017-10-26 US disclosed
US-20170304292-A1 Tetrahydroisoquinoline Derivatives UCB BIOPHARMA SPRL (BE) 2017-10-26 US disclosed
EP-3204359-A1 TETRAHYDROISOQUINOLINE DERIVATIVES UCB Biopharma SPRL (BE) 2017-08-16 EP disclosed
US-20160145247-A1 Aminomethyl-Biaryl Derivatives Complement Factor D inhibitors and uses thereof NOVARTIS AG (CH) 2016-05-26 US disclosed
EP-3022182-A1 AMINOMETHYL-BIARYL DERIVATIVES AS COMPLEMENT FACTOR D INHIBITORS AND USES THEREOF Novartis AG (CH) 2016-05-25 EP disclosed
CN-105555766-A Aminomethyl-biaryl derivatives as complement factor D inhibitors and uses thereof NOVARTIS AG 2016-05-04 CN disclosed
WO-2016055479-A1 TETRAHYDROISOQUINOLINE DERIVATIVES UCB BIOPHARMA SPRL (BE) 2016-04-14 WO disclosed
WO-2016055479-A1 TETRAHYDROISOQUINOLINE DERIVATIVES UCB BIOPHARMA SPRL (BE) 2016-04-14 WO disclosed
WO-2015009977-A1 AMINOMETHYL-BIARYL DERIVATIVES AS COMPLEMENT FACTOR D INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2015-01-22 WO disclosed
EP-0470578-B1 Novel tricyclic compound or salts thereof, method for producing the same and antimicrobial agent containing the same WAKUNAGA SEIYAKU KK (JP) 1996-11-06 EP disclosed
US-5399553-A Oral absorbability WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1995-03-21 US disclosed
US-5254685-A Tricyclic compound or salts thereof, method for producing the same and antimicrobial agent containing the same WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1993-10-19 US disclosed
CN-1059144-A New tricyclic compound or its salt, prepare their method and contain their antiseptic-germicide WAKUNAGA SEIYAKU KK (JP) 1992-03-04 CN disclosed
EP-0470578-A1 Novel tricyclic compound or salts thereof, method for producing the same and antimicrobial agent containing the same WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1992-02-12 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-20170304292-A1 Tetrahydroisoquinoline Derivatives OPRD1, ADRA1D, GPR52 AKR1B1 1371/4885ALDH1A1 950/4885KDM4E 3199/4885
US-10105359-B2 Tetrahydroisoquinoline derivatives OPRD1, ADRA1D, GPR52 AKR1B1 1371/4885ALDH1A1 950/4885KDM4E 3199/4885
US-20160145247-A1 Aminomethyl-Biaryl Derivatives Complement Factor D inhibitors and uses thereof CFD, CFH, CFB AKR1B1 508/4885ALDH1A1 1468/4885KDM4E 1062/4885

“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.