SCHEMBL1120401

SCHEMBL1120401

COC(=O)CN(N)c1ccc(C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
GLA P06280 1/20 0.45
KMT2A Q03164 1/20 0.45
PKM P14618 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RAB9A P51151 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
PTPN1 P18031 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
HIF1A Q16665 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL1120544 0.84 RAB9A (0.44) ALDH1A1KDM4EKMT2AHSD17B10RAB9A
SCHEMBL27811550 0.83 LOXL2 (0.50) ALDH1A1KDM4ERAB9APTPN1
SCHEMBL24149568 0.80 MLYCD (0.48) ALDH1A1KDM4EMMP2MMP9MAPT
SCHEMBL8911970 0.80 ALDH1A1 (0.46) ALDH1A1KDM4EGLAKMT2APKM
SCHEMBL9780001 0.79 KEAP1 (0.53) ALDH1A1KMT2ARAB9AKEAP1NFE2L2
SCHEMBL11318899 0.79 KEAP1 (0.41) ALDH1A1KDM4ERAB9ATDP1TSHR
SCHEMBL13680117 0.76 KEAP1 (0.46) ALDH1A1KDM4EGLAKMT2APKM
SCHEMBL9795684 0.76 MAOB (0.53) ALDH1A1RAB9AMAPT
SCHEMBL28101490 0.75 RAB9A (0.66) ALDH1A1KDM4EGLAKMT2APKM
SCHEMBL15576794 0.73 KMT2A (0.43) ALDH1A1KDM4EGLAKMT2APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303522-A1 ARYLTETRAHYDROPYRIDAZINE DERIVATIVE OR SALT THEREOF, INSECTICIDAL AGENT CONTAINING THE COMPOUND, AND METHOD OF USE THEREOF NIHON NOHYAKU CO., LTD. (JP) 2023-09-28 US disclosed
US-9469641-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-10-18 US disclosed
US-9260429-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-02-16 US disclosed
US-20130190323-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130184306-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-18 US disclosed
US-20130131077-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-05-23 US disclosed
US-20130079352-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-03-28 US disclosed
US-8338447-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2012-12-25 US disclosed
EP-2280968-A2 PYRIDO [3, 4-B]INDOLES AND METHODS OF USE Medivation Technologies, Inc. (US) 2011-02-09 EP disclosed
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2009-10-29 US disclosed
WO-2009120717-A2 PYRIDO [3, 4-B] INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2009-10-01 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 (6 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-20130184306-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C ALDH1A1 1514/4885KDM4E 1637/4885GLA 3833/4885
US-20130079352-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C ALDH1A1 1514/4885KDM4E 1637/4885GLA 3833/4885
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C ALDH1A1 1514/4885KDM4E 1637/4885GLA 3833/4885
US-20130190323-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C ALDH1A1 1514/4885KDM4E 1637/4885GLA 3833/4885
US-20230303522-A1 ARYLTETRAHYDROPYRIDAZINE DERIVATIVE OR SALT THEREOF, INSECTICIDAL AGENT CONTAINING THE COMPOUND, AND METHOD OF USE THEREOF CYP4Z1, DDT, AADAC ALDH1A1 188/4885KDM4E 782/4885GLA 3424/4885
US-20130131077-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR2C, HTR4 ALDH1A1 1607/4885KDM4E 1731/4885GLA 3793/4885

“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.