SCHEMBL13634224

SCHEMBL13634224

Cc1c([N+](=O)[O-])cnn1CCN1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2D6 P10635 1/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
CYP2C9 P11712 1/20 0.45
KDM4E B2RXH2 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
PKM P14618 2/20 0.42
LMNA P02545 1/20 0.40

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
SCHEMBL16975501 0.84 KDM1A (0.40) POLBMEN1KMT2ACYP1A2CYP2C19
SCHEMBL16975569 0.84 KDM1A (0.40) POLBMEN1KMT2ACYP1A2CYP2C19
SCHEMBL28104852 0.84 KDM1A (0.40) POLBMEN1KMT2ACYP1A2CYP2C19
SCHEMBL16975461 0.81 ALDH1A1 (0.37) POLBMEN1KMT2ACYP1A2CYP2C19
SCHEMBL20580172 0.81 ALDH1A1 (0.37) POLBMEN1KMT2ACYP1A2CYP2C19
SCHEMBL16985309 0.81 ALDH1A1 (0.37) POLBMEN1KMT2ACYP1A2CYP2C19
SCHEMBL5099056 0.81 MEN1 (0.47) POLBMEN1KMT2ACYP1A2CYP2C19
SCHEMBL2770680 0.80 MEN1 (0.46) POLBMEN1KMT2ACYP1A2CYP2C19
SCHEMBL5104902 0.80 POLB (0.46) POLBMEN1KMT2ACYP1A2CYP2C19
SCHEMBL16985339 0.80 ALDH1A1 (0.51) MEN1KMT2ACYP1A2CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11136311-B2 Heteroaromatic derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-10-05 US disclosed
US-10618901-B2 LRRK2 inhibitors for the treatment of Parkinson's disease GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-04-14 US disclosed
EP-3099695-B1 COMPOUNDS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-04-08 EP disclosed
CN-105940004-B Compound 葛兰素史密斯克莱知识产权发展有限公司 2018-02-02 CN disclosed
US-20170015668-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-19 US disclosed
US-20170015668-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-19 US disclosed
CN-105940004-A Compounds 葛兰素史密斯克莱知识产权发展有限公司 2016-09-14 CN disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US 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-10618901-B2 LRRK2 inhibitors for the treatment of Parkinson's disease LRRK2, PARK7, PINK1 POLB 1043/4885MEN1 4432/4885KMT2A 2126/4885
US-11136311-B2 Heteroaromatic derivatives as NIK inhibitors NFKBIA, IKBKG, IKBKE POLB 1088/4885MEN1 2801/4885KMT2A 1706/4885
US-20170015668-A1 COMPOUNDS LRRK2, PARK7, PINK1 POLB 1065/4885MEN1 4512/4885KMT2A 2719/4885

“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.