SCHEMBL14714916

SCHEMBL14714916

N#Cc1ccc(-c2ccc(OCCCN3CCOCC3)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 1.00
HRH1 P35367 11/20 1.00
HRH2 P25021 10/20 1.00
MAPK1 P28482 2/20 0.65
ALDH1A1 P00352 2/20 0.65
CYP1A2 P05177 1/20 0.65
CHRM2 P08172 1/20 0.65
CHRM1 P11229 1/20 0.65
HTR2A P28223 1/20 0.65
SCN1A P35498 1/20 0.65
HTR2B P41595 1/20 0.65
KCNH2 Q12809 1/20 0.65
SCN2A Q99250 1/20 0.65
SIGMAR1 Q99720 1/20 0.65
SCN3A Q9NY46 1/20 0.65
USP2 O75604 1/20 0.63
LMNA P02545 1/20 0.63
KDM4E B2RXH2 1/20 0.62
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60

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
SCHEMBL7291468 0.96 HRH3 (0.92) HRH3HRH1HRH2MAPK1ALDH1A1
SCHEMBL8795398 0.92 HRH3 (0.84) HRH3HRH1HRH2MAPK1ALDH1A1
SCHEMBL14393458 0.90 HRH3 (0.88) HRH3HRH1HRH2
Hydrochloric Acid SCHEMBL1714618 0.88 HRH3 (0.86) HRH3HRH1HRH2
SCHEMBL424774 0.88 HRH3 (0.79) HRH3HRH1HRH2MAPK1ALDH1A1
SCHEMBL6922135 0.87 HRH3 (1.00) HRH3HRH1HRH2KCNH2
SCHEMBL27914448 0.86 HRH3 (0.76) HRH3HRH1HRH2MAPK1ALDH1A1
SCHEMBL1715391 0.85 HRH3 (0.84) HRH3HRH1HRH2
SCHEMBL3141155 0.84 HRH3 (0.73) HRH3HRH1HRH2MAPK1ALDH1A1
SCHEMBL4090612 0.84 HRH3 (0.82) HRH3HRH1HRH2MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2562155-B1 HYDROXAMIC ACID DERIVATIVE TAISHO PHARMACEUTICAL CO LTD (JP) 2019-06-05 EP disclosed
US-9499477-B2 Hydroxamic acid derivative TOYAMA CHEMICAL CO., LTD. (JP) 2016-11-22 US disclosed
US-9499477-B2 Hydroxamic acid derivative TOYAMA CHEMICAL CO., LTD. (JP) 2016-11-22 US disclosed
US-9499477-B2 Hydroxamic acid derivative TOYAMA CHEMICAL CO., LTD. (JP) 2016-11-22 US disclosed
US-20150225335-A1 NOVEL HYDROXAMIC ACID DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-08-13 US disclosed
US-20150225335-A1 NOVEL HYDROXAMIC ACID DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-08-13 US disclosed
US-20150225335-A1 NOVEL HYDROXAMIC ACID DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-08-13 US disclosed
US-9073821-B2 Hydroxamic acid derivative TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-07-07 US disclosed
US-9073821-B2 Hydroxamic acid derivative TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-07-07 US disclosed
US-9073821-B2 Hydroxamic acid derivative TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-07-07 US disclosed
US-20130072677-A1 NOVEL HYDROXAMIC ACID DERIVATIVE TOYAMA CHEMICAL CO., LTD. (JP) 2013-03-21 US disclosed
US-20130072677-A1 NOVEL HYDROXAMIC ACID DERIVATIVE TOYAMA CHEMICAL CO., LTD. (JP) 2013-03-21 US disclosed
US-20130072677-A1 NOVEL HYDROXAMIC ACID DERIVATIVE TOYAMA CHEMICAL CO., LTD. (JP) 2013-03-21 US disclosed
EP-2562155-A1 NOVEL HYDROXAMIC ACID DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2013-02-27 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 (2 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-20150225335-A1 NOVEL HYDROXAMIC ACID DERIVATIVE LCT, AGXT, HDAC9 HRH3 1334/4885HRH1 1018/4885HRH2 955/4885
US-20130072677-A1 NOVEL HYDROXAMIC ACID DERIVATIVE LCT, AGXT, HDAC9 HRH3 1334/4885HRH1 1018/4885HRH2 955/4885

“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.