SCHEMBL15955780

SCHEMBL15955780

O=C(C=NO)NCCN1CCCCC1

nearest known ligand 0.82

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.59
HIF1A Q16665 1/20 0.59
NPC1 O15118 1/20 0.55
MAPT P10636 2/20 0.53
CA12 O43570 3/20 0.51
CA1 P00915 3/20 0.51
CA2 P00918 3/20 0.51
CA9 Q16790 3/20 0.51
ALDH1A1 P00352 5/20 0.51
ALOX15 P16050 1/20 0.51
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL21020731 1.00 MAPK1 (0.59) MAPK1HIF1ANPC1MAPTCA12
SCHEMBL15963820 1.00 MAPK1 (0.59) MAPK1HIF1ANPC1MAPTCA12
SCHEMBL15963822 1.00 MAPK1 (0.59) MAPK1HIF1ANPC1MAPTCA12
SCHEMBL17331173 1.00 MAPK1 (0.59) MAPK1HIF1ANPC1MAPTCA12
Hydrochloric Acid SCHEMBL30185779 0.98 MAPK1 (0.57) MAPK1HIF1ANPC1MAPTCA12
SCHEMBL19629286 0.98 MAPK1 (0.60) MAPK1HIF1ANPC1MAPTCA12
SCHEMBL22691913 0.93 MAPK1 (0.59) MAPK1HIF1ANPC1MAPTCA12
SCHEMBL22691906 0.91 MAPK1 (0.64) MAPK1HIF1ANPC1MAPTCA12
SCHEMBL17331198 0.90 MAPK1 (0.73) MAPK1HIF1ANPC1MAPTALDH1A1
SCHEMBL17331168 0.90 MAPK1 (0.73) MAPK1HIF1ANPC1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10913726-B2 Centrally active and orally bioavailable antidotes for organophosphate exposure and methods for making and using them THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-02-09 US disclosed
US-10800749-B2 Centrally active and orally bioavailable antidotes for organophosphate exposure and methods for making and using them THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-10-13 US disclosed
US-20190337911-A1 CENTRALLY ACTIVE AND ORALLY BIOAVAILABLE ANTIDOTES FOR ORGANOPHOSPHATE EXPOSURE AND METHODS FOR MAKING AND USING THEM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-11-07 US disclosed
US-20190119237-A1 CENTRALLY ACTIVE AND ORALLY BIOAVAILABLE ANTIDOTES FOR ORGANOPHOSPHATE EXPOSURE AND METHODS FOR MAKING AND USING THEM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-04-25 US disclosed
EP-2956451-A1 CENTRALLY ACTIVE AND ORALLY BIOAVAILABLE ANTIDOTES FOR ORGANOPHOSPHATE EXPOSURE AND METHODS FOR MAKING AND USING THEM The Regents of the University of California (US) 2015-12-23 EP disclosed
US-20150361060-A1 CENTRALLY ACTIVE AND ORALLY BIOAVAILABLE ANTIDOTES FOR ORGANOPHOSPHATE EXPOSURE AND METHODS FOR MAKING AND USING THEM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-12-17 US disclosed
WO-2014127315-A1 CENTRALLY ACTIVE AND ORALLY BIOAVAILABLE ANTIDOTES FOR ORGANOPHOSPHATE EXPOSURE AND METHODS FOR MAKING AND USING THEM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-08-21 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 (5 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-10800749-B2 Centrally active and orally bioavailable antidotes for organophosphate exposure and methods for making and using them ACHE, BCHE, IDE MAPK1 3403/4885HIF1A 4152/4885NPC1 3210/4885
US-20190337911-A1 CENTRALLY ACTIVE AND ORALLY BIOAVAILABLE ANTIDOTES FOR ORGANOPHOSPHATE EXPOSURE AND METHODS FOR MAKING AND USING THEM ACHE, BCHE, IDE MAPK1 3403/4885HIF1A 4152/4885NPC1 3210/4885
US-20150361060-A1 CENTRALLY ACTIVE AND ORALLY BIOAVAILABLE ANTIDOTES FOR ORGANOPHOSPHATE EXPOSURE AND METHODS FOR MAKING AND USING THEM ACHE, BCHE, IDE MAPK1 3403/4885HIF1A 4152/4885NPC1 3210/4885
US-20190119237-A1 CENTRALLY ACTIVE AND ORALLY BIOAVAILABLE ANTIDOTES FOR ORGANOPHOSPHATE EXPOSURE AND METHODS FOR MAKING AND USING THEM ACHE, BCHE, IDE MAPK1 3403/4885HIF1A 4152/4885NPC1 3210/4885
US-10913726-B2 Centrally active and orally bioavailable antidotes for organophosphate exposure and methods for making and using them ACHE, BCHE, IDE MAPK1 3403/4885HIF1A 4152/4885NPC1 3210/4885

“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.