SCHEMBL3459225

SCHEMBL3459225

O=c1[nH]c2ccccc2cc1N1CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
KDR P35968 3/20 0.50
HTR6 P50406 5/20 0.49
HTR3A P46098 3/20 0.49
HTR3E A5X5Y0 2/20 0.49
HTR3B O95264 2/20 0.49
HTR5A P47898 2/20 0.49
HTR3D Q70Z44 2/20 0.49
HTR3C Q8WXA8 2/20 0.49
SIGMAR1 Q99720 2/20 0.49
CYP1A2 P05177 1/20 0.49
HTR1A P08908 1/20 0.49
CYP2D6 P10635 1/20 0.49
NCF1 P14598 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
HTR1D P28221 1/20 0.49
HTR1B P28222 1/20 0.49
HTR2A P28223 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
SCHEMBL31149055 1.00 HRH4 (0.51) HRH4HRH3KDRHTR6HTR3A
Trifluoroacetic Acid SCHEMBL30355123 0.88 HRH4 (0.48) HRH4HRH3KDRHTR6HTR3A
SCHEMBL9686105 0.87 BRD4 (0.50) HRH4HRH3KDRKDM4EALDH1A1
SCHEMBL4543934 0.87 BRD4 (0.50) HRH4HRH3KDRKDM4EBRD4
SCHEMBL6582983 0.86 BRD4 (0.49) HRH3KDRHSD17B10KDM4EALDH1A1
Lactic Acid SCHEMBL27341609 0.83 HRH4 (0.44) HRH4HRH3KDRHTR6HTR3A
SCHEMBL13801290 0.82 BRD4 (0.45) HRH4HRH3KDRHTR3AKDM4E
Phenylpiperazine SCHEMBL27743147 0.80 HTR3E (0.53) HRH4HRH3KDRHTR6HTR3A
SCHEMBL14410195 0.80 BRD4 (0.46) HRH4HRH3KDRHTR3ATSHR
SCHEMBL30041257 0.77 HRH4 (0.63) HRH4HRH3HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4808583-A MICROBIOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1989-02-28 US claimed
EP-0138018-B1 SOLUTIONS OF LACTIC ACID SALTS OF PIPERAZINYLQUINOLONE AND PIPERAZINYL AZAQUINOLONECARBOXYLIC ACIDS BAYER AG (DE) 1988-11-02 EP claimed
US-4705789-A Solutions of lactic acid salts of piperazinylquinolone- and piperazinyl-azaquinolone-carboxylic acids BAYER AKTIENGESELLSCHAFT (DE) 1987-11-10 US claimed
CN-115103841-A Substituted quinolinonyl piperazine compounds useful as T cell activators 百时美施贵宝公司 2022-09-23 CN disclosed
CN-115103841-A Substituted quinolinonyl piperazine compounds useful as T cell activators 百时美施贵宝公司 2022-09-23 CN disclosed
US-10350217-B2 Antifungal agents and uses thereof UNIVERSITY OF MASSACHUSETTS (US) 2019-07-16 US disclosed
US-20170224703-A1 ANTIFUNGAL AGENTS AND USES THEREOF UNIVERSITY OF MASSACHUSETTS 2017-08-10 US disclosed
US-9648880-B2 Antifungal agents and uses thereof UNIVERSITY OF MASSACHUSETTS (US) 2017-05-16 US disclosed
US-20140142107-A1 ANTIFUNGAL AGENTS AND USES THEREOF UNIVERSITY OF MASSACHUSETTS (US) 2014-05-22 US disclosed
WO-2014039515-A2 ANTIFUNGAL AGENTS AND USES THEREOF UNIVERSITY OF MASSACHUSETTS (US) 2014-03-13 WO disclosed
EP-1401829-B1 NOVEL HETEROCYCLIC ANTIBACTERIAL COMPOUNDS MICROBIOTIX INC (US) 2012-08-22 EP disclosed
US-4808585-A WITH EXCESS ACID; NONPRECIPITATING BAYER AKTIENGESELLSCHAFT (DE) 1989-02-28 US disclosed
US-4808585-A WITH EXCESS ACID; NONPRECIPITATING BAYER AKTIENGESELLSCHAFT (DE) 1989-02-28 US disclosed
US-4808585-A WITH EXCESS ACID; NONPRECIPITATING BAYER AKTIENGESELLSCHAFT (DE) 1989-02-28 US disclosed
US-4808583-A MICROBIOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1989-02-28 US disclosed
US-4808583-A MICROBIOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1989-02-28 US disclosed
US-4705789-A Solutions of lactic acid salts of piperazinylquinolone- and piperazinyl-azaquinolone-carboxylic acids BAYER AKTIENGESELLSCHAFT (DE) 1987-11-10 US disclosed
US-4705789-A Solutions of lactic acid salts of piperazinylquinolone- and piperazinyl-azaquinolone-carboxylic acids BAYER AKTIENGESELLSCHAFT (DE) 1987-11-10 US disclosed
US-4705789-A Solutions of lactic acid salts of piperazinylquinolone- and piperazinyl-azaquinolone-carboxylic acids BAYER AKTIENGESELLSCHAFT (DE) 1987-11-10 US disclosed
EP-0138018-A2 Solutions of lactic acid salts of piperazinylquinolone and piperazinyl azaquinolonecarboxylic acids BAYER AG (DE) 1985-04-24 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-20140142107-A1 ANTIFUNGAL AGENTS AND USES THEREOF DPM1, ERG28, SUCLG1 HRH4 3925/4885HRH3 3538/4885KDR 4688/4885
US-20170224703-A1 ANTIFUNGAL AGENTS AND USES THEREOF DPM1, ERG28, SUCLG1 HRH4 3925/4885HRH3 3538/4885KDR 4688/4885
US-10350217-B2 Antifungal agents and uses thereof DPM1, ERG28, SUCLG1 HRH4 3925/4885HRH3 3538/4885KDR 4688/4885

“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.