SCHEMBL17620588

SCHEMBL17620588

Cc1cccn2cc(-c3ccccc3[N+](=O)[O-])cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 1/20 0.49
TDP1 Q9NUW8 4/20 0.47
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.40
NPC1 O15118 4/20 0.40
MAPT P10636 4/20 0.40
RAB9A P51151 4/20 0.40
HTT P42858 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
MAPK1 P28482 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
SCHEMBL17620556 0.77 ALDH1A1 (0.53) ALDH1A1KDM4ETDP1HSD17B10SMN1; SMN2
SCHEMBL7172073 0.76 CRHBP (0.46) ALDH1A1KDM4ETDP1HSD17B10SMN1; SMN2
SCHEMBL3896610 0.73 ALDH1A1 (0.73) ALDH1A1KDM4EHSD17B10SMN1; SMN2TSHR
SCHEMBL7169178 0.72 TDP1 (0.44) ALDH1A1KDM4ETDP1HSD17B10SMN1; SMN2
SCHEMBL23188582 0.71 TDP1 (0.56) ALDH1A1TDP1HSD17B10SMN1; SMN2TSHR
SCHEMBL2360248 0.70 HSD17B10 (0.69) ALDH1A1TDP1HSD17B10SMN1; SMN2TSHR
SCHEMBL30564320 0.70 HSD17B10 (0.69) ALDH1A1TDP1HSD17B10SMN1; SMN2TSHR
SCHEMBL9761836 0.70 ALDH1A1 (0.76) ALDH1A1TDP1HSD17B10LMNAMEN1
SCHEMBL17620563 0.69 ALDH1A1 (0.49) ALDH1A1TDP1HSD17B10SMN1; SMN2LMNA
SCHEMBL15618131 0.69 LMNA (0.47) ALDH1A1TDP1HSD17B10SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160108042-A1 INDOLIZINO[3,2-c]QUINOLINE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION FOR TREATMENT OF CYSTIC FIBROSIS CONTAINING THE SAME AS ACTIVE INGREDIENT INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2016-04-21 US disclosed
US-20160108042-A1 INDOLIZINO[3,2-c]QUINOLINE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION FOR TREATMENT OF CYSTIC FIBROSIS CONTAINING THE SAME AS ACTIVE INGREDIENT INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2016-04-21 US disclosed
US-20160108042-A1 INDOLIZINO[3,2-c]QUINOLINE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION FOR TREATMENT OF CYSTIC FIBROSIS CONTAINING THE SAME AS ACTIVE INGREDIENT INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2016-04-21 US disclosed
US-9296751-B1 Indolizino[3,2-c]quinoline derivatives, pharmaceutically acceptable salt thereof, preparation method thereof and pharmaceutical composition for treatment of cystic fibrosis containing the same as active ingredient INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2016-03-29 US disclosed
US-9296751-B1 Indolizino[3,2-c]quinoline derivatives, pharmaceutically acceptable salt thereof, preparation method thereof and pharmaceutical composition for treatment of cystic fibrosis containing the same as active ingredient INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2016-03-29 US disclosed
US-9296751-B1 Indolizino[3,2-c]quinoline derivatives, pharmaceutically acceptable salt thereof, preparation method thereof and pharmaceutical composition for treatment of cystic fibrosis containing the same as active ingredient INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2016-03-29 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 (1 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-20160108042-A1 INDOLIZINO[3,2-c]QUINOLINE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION FOR TREATMENT OF CYSTIC FIBROSIS CONTAINING THE SAME AS ACTIVE INGREDIENT CFTR, AQP3, AQP1 ALDH1A1 1709/4885KDM4E 3338/4885TDP1 4824/4885

“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.