SCHEMBL2840941

SCHEMBL2840941

CC(=O)NC1Cc2cc(Br)cc([N+](=O)[O-])c2NC1=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.33
AKR1B1 P15121 1/20 0.33
PYGL P06737 1/20 0.32
PYGM P11217 1/20 0.32
S100A4 P26447 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
PSMB11 A5LHX3 1/20 0.32
PSMA7 O14818 1/20 0.32
PSMB1 P20618 1/20 0.32
PSMA1 P25786 1/20 0.32
PSMA2 P25787 1/20 0.32
PSMA3 P25788 1/20 0.32
PSMA4 P25789 1/20 0.32
PSMB8 P28062 1/20 0.32
PSMB9 P28065 1/20 0.32
PSMA5 P28066 1/20 0.32
PSMB4 P28070 1/20 0.32

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
SCHEMBL2843497 0.89 GPR35 (0.34) ALDH1A1MAPTKDM4EAKR1B1PYGL
SCHEMBL2843494 0.89 GPR35 (0.34) ALDH1A1MAPTKDM4EAKR1B1PYGL
SCHEMBL2838101 0.86 GAA (0.40) MAPTGAAAKR1B1SMN1; SMN2
SCHEMBL15681090 0.85 PSMB11 (0.32) ALDH1A1MAPTKDM4EGAAPYGL
SCHEMBL7346699 0.82 ERN1 (0.36) ALDH1A1MAPTAKR1B1S100A4TRPV1
SCHEMBL2840177 0.81 PYGL (0.41) ALDH1A1MAPTKDM4EPYGLPYGM
SCHEMBL27798348 0.80 ALOX5 (0.34) MAPTGAAGPR35MAPK1SMN1; SMN2
SCHEMBL14550752 0.79 AKR1B1 (0.37) ALDH1A1MAPTGAAAKR1B1S100A4
SCHEMBL7349533 0.76 AKR1B1 (0.37) ALDH1A1MAPTAKR1B1S100A4TRPV1
SCHEMBL7350240 0.76 AKR1B1 (0.35) ALDH1A1MAPTGAAAKR1B1S100A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2241564-B1 3,8-DIAMINOTETRAHYDROQUINOLINE DERIVATIVE ZERIA PHARM CO LTD (JP) 2014-04-30 EP disclosed
EP-2241564-B1 3,8-DIAMINOTETRAHYDROQUINOLINE DERIVATIVE ZERIA PHARM CO LTD (JP) 2014-04-30 EP disclosed
US-8501772-B2 3,8-diaminotetrahydroquinoline derivative ZERIA PHARMACEUTICAL CO., LTD. (JP) 2013-08-06 US disclosed
US-8501772-B2 3,8-diaminotetrahydroquinoline derivative ZERIA PHARMACEUTICAL CO., LTD. (JP) 2013-08-06 US disclosed
US-8501772-B2 3,8-diaminotetrahydroquinoline derivative ZERIA PHARMACEUTICAL CO., LTD. (JP) 2013-08-06 US disclosed
CN-101939313-B 3,8-diaminotetrahydroquinoline derivative ZERIA PHARM CO LTD 2013-05-22 CN disclosed
US-20130012537-A1 3,8-DIAMINOTETRAHYDROQUINOLINE DERIVATIVE ZERIA PHARMACEUTICAL CO., LTD. (JP) 2013-01-10 US disclosed
US-20130012537-A1 3,8-DIAMINOTETRAHYDROQUINOLINE DERIVATIVE ZERIA PHARMACEUTICAL CO., LTD. (JP) 2013-01-10 US disclosed
US-20130012537-A1 3,8-DIAMINOTETRAHYDROQUINOLINE DERIVATIVE ZERIA PHARMACEUTICAL CO., LTD. (JP) 2013-01-10 US disclosed
US-8299255-B2 3,8-diaminotetrahydroquinoline derivative ZERIA PHARMACEUTICAL CO., LTD. (JP) 2012-10-30 US disclosed
US-8299255-B2 3,8-diaminotetrahydroquinoline derivative ZERIA PHARMACEUTICAL CO., LTD. (JP) 2012-10-30 US disclosed
US-8299255-B2 3,8-diaminotetrahydroquinoline derivative ZERIA PHARMACEUTICAL CO., LTD. (JP) 2012-10-30 US disclosed
CN-101939313-A 3,8-diamino tetrahydroquinoline derivative ZERIA PHARM CO LTD 2011-01-05 CN disclosed
US-20100317693-A1 3,8-DIAMINOTETRAHYDROQUINOLINE DERIVATIVE ZERIA PHARMACEUTICAL CO., LTD (JP) 2010-12-16 US disclosed
US-20100317693-A1 3,8-DIAMINOTETRAHYDROQUINOLINE DERIVATIVE ZERIA PHARMACEUTICAL CO., LTD (JP) 2010-12-16 US disclosed
US-20100317693-A1 3,8-DIAMINOTETRAHYDROQUINOLINE DERIVATIVE ZERIA PHARMACEUTICAL CO., LTD (JP) 2010-12-16 US disclosed
EP-2241564-A1 3,8-DIAMINOTETRAHYDROQUINOLINE DERIVATIVE Zeria Pharmaceutical Co., Ltd. (JP) 2010-10-20 EP disclosed
EP-2241564-A1 3,8-DIAMINOTETRAHYDROQUINOLINE DERIVATIVE Zeria Pharmaceutical Co., Ltd. (JP) 2010-10-20 EP disclosed
WO-2009098901-A1 3,8-DIAMINOTETRAHYDROQUINOLINE DERIVATIVE ZERIA PHARMACEUTICAL CO., LTD. (JP) 2009-08-13 WO 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-20130012537-A1 3,8-DIAMINOTETRAHYDROQUINOLINE DERIVATIVE MC2R, GHRHR, REN ALDH1A1 3410/4885MAPT 4084/4885KDM4E 3646/4885
US-20100317693-A1 3,8-DIAMINOTETRAHYDROQUINOLINE DERIVATIVE GHSR, GHRHR, GNRHR ALDH1A1 4123/4885MAPT 4799/4885KDM4E 1951/4885

“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.