SCHEMBL3914875

SCHEMBL3914875

COC(=O)c1c(NC(=O)Cn2nc([N+](=O)[O-])cc2C)sc2c1CCC(C)C2

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.69
MAPT P10636 5/20 0.69
HPGD P15428 4/20 0.69
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
CYP1A2 P05177 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
GAA P10253 1/20 0.60
HSD17B10 Q99714 4/20 0.57
MAPK1 P28482 2/20 0.57
HTT P42858 2/20 0.57
USP2 O75604 1/20 0.57
TP53 P04637 1/20 0.57
KDM4E B2RXH2 3/20 0.57
ALOX15 P16050 2/20 0.57
POLB P06746 1/20 0.57
ALOX12 P18054 1/20 0.57
LMNA P02545 1/20 0.53

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
SCHEMBL6437832 0.92 MAPT (0.70) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL3924730 0.87 ALDH1A1 (0.82) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL3914675 0.84 ALDH1A1 (0.67) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL3914109 0.81 MEN1 (1.00) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL3911839 0.79 ALDH1A1 (0.77) ALDH1A1MAPTHPGDSMN1; SMN2CYP1A2
SCHEMBL3916269 0.78 CYP1A2 (0.77) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL3914077 0.78 ALDH1A1 (0.77) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL3914440 0.75 MEN1 (1.00) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL3280415 0.75 POLB (0.61) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL8290736 0.75 ALDH1A1 (0.61) ALDH1A1MAPTHPGDMEN1KMT2A

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-20090298842-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor PATO JANOS 2009-12-03 US claimed
US-20090018149-A1 4,5,6,7-tetrahydrobenzo[b]thiophene derivatives and methods for medical intervention against mycobacterial infections AXXIMA PHARMACEUTICALS AG (DE) 2009-01-15 US claimed
US-20040171603-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor VICHEM CHEMIE KFT (HU) 2004-09-02 US claimed
US-20090298842-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor PATO JANOS 2009-12-03 US disclosed
US-20090018149-A1 4,5,6,7-tetrahydrobenzo[b]thiophene derivatives and methods for medical intervention against mycobacterial infections AXXIMA PHARMACEUTICALS AG (DE) 2009-01-15 US disclosed
US-20040171603-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor VICHEM CHEMIE KFT (HU) 2004-09-02 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-20090298842-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor PKLR, MASTL, BPGM ALDH1A1 4718/4885MAPT 3062/4885HPGD 964/4885
US-20040171603-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor PKLR, PKN1, PKMYT1 ALDH1A1 4655/4885MAPT 2046/4885HPGD 852/4885
US-20090018149-A1 4,5,6,7-tetrahydrobenzo[b]thiophene derivatives and methods for medical intervention against mycobacterial infections STK4, SBK3, STK17B ALDH1A1 4146/4885MAPT 2119/4885HPGD 2459/4885

“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.