SCHEMBL1669347

SCHEMBL1669347

C[C@@H](Nc1ncccc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
ALDH1A1 P00352 4/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 5/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
MEN1 O00255 3/20 0.47
NFKB1 P19838 1/20 0.47
MAPK1 P28482 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ITGB1 P05556 1/20 0.47
ITGA4 P13612 1/20 0.47
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PKM P14618 2/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL31477687 1.00 KMT2A (0.52) KMT2AALDH1A1LMNAMAPTNPC1
SCHEMBL1669351 1.00 KMT2A (0.52) KMT2AALDH1A1LMNAMAPTNPC1
Hydrochloric Acid SCHEMBL9694444 0.99 KMT2A (0.51) KMT2AALDH1A1LMNAMAPTNPC1
Hydrochloric Acid SCHEMBL9694453 0.99 KMT2A (0.51) KMT2AALDH1A1LMNAMAPTNPC1
SCHEMBL16563740 0.86 ALDH1A1 (0.61) KMT2AALDH1A1LMNAMAPTNPC1
SCHEMBL16711989 0.86 ALDH1A1 (0.61) KMT2AALDH1A1LMNAMAPTNPC1
SCHEMBL9693813 0.86 ALDH1A1 (0.61) KMT2AALDH1A1LMNAMAPTNPC1
SCHEMBL7697932 0.84 MAPT (0.51) KMT2AALDH1A1LMNAMAPTNPC1
SCHEMBL12890441 0.83 KMT2A (0.52) KMT2AALDH1A1LMNAMAPTNPC1
SCHEMBL9693888 0.83 NPC1 (0.60) KMT2AALDH1A1LMNAMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110627724-A Pyrazole derivative calcium release-activated calcium channel modulators and methods of treating non-small cell lung cancer 理森制药股份公司 2019-12-31 CN disclosed
US-20190248791-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL AND METHODS FOR TREATMENT OF NON-SMALL CELL LUNG CANCER RHIZEN PHARMACEUTICALS SA (CH) 2019-08-15 US disclosed
US-10174034-B2 Modulators of calcium release-activated calcium channel and methods for treatment of non-small cell lung cancer RHIZEN PHARMACEUTICALS SA (CH) 2019-01-08 US disclosed
EP-2509974-B1 PYRAZOLES DERIVATIVES MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL AND METHODS FOR TREATMENT OF NON-SMALL CELL LUNG CANCER RHIZEN PHARMACEUTICALS S A (CH) 2018-04-11 EP disclosed
US-20150291588-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL AND METHODS FOR TREATMENT OF NON-SMALL CELL LUNG CANCER RHIZEN PHARMACEUTICALS SA (CH) 2015-10-15 US disclosed
US-8993612-B2 Modulators of calcium release-activated calcium channel and methods for treatment of non-small cell lung cancer RHIZEN PHARMACEUTICALS SA (CH) 2015-03-31 US disclosed
EP-2509974-A1 PYRAZOLES DERIVATIVES MODULATORS OF CALCIUM RELEASE -ACTIVATED CALCIUM CHANNEL AND METHODS FOR TREATMENT OF NON- SMALL CELL LUNG CANCER Rhizen Pharmaceuticals S.A. (CH) 2012-10-17 EP disclosed
US-20110112058-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL AND METHODS FOR TREATMENT OF NON-SMALL CELL LUNG CANCER INCOZEN THERAPEUTICS PVT. LTD. (IN) 2011-05-12 US disclosed
WO-2011042798-A1 PYRAZOLES DERIVATIVES MODULATORS OF CALCIUM RELEASE -ACTIVATED CALCIUM CHANNEL AND METHODS FOR TREATMENT OF NON- SMALL CELL LUNG CANCER INCOZEN THERAPEUTICS PVT. LTD. (IN) 2011-04-14 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 (4 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-20110112058-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL AND METHODS FOR TREATMENT OF NON-SMALL CELL LUNG CANCER ORAI1, CACNB2, CACNB1 KMT2A 4626/4885ALDH1A1 3914/4885LMNA 1452/4885
US-20190248791-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL AND METHODS FOR TREATMENT OF NON-SMALL CELL LUNG CANCER ORAI1, CACNB2, CACNB1 KMT2A 4626/4885ALDH1A1 3914/4885LMNA 1452/4885
US-20150291588-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL AND METHODS FOR TREATMENT OF NON-SMALL CELL LUNG CANCER ORAI1, CACNB2, CACNB1 KMT2A 4626/4885ALDH1A1 3914/4885LMNA 1452/4885
US-10174034-B2 Modulators of calcium release-activated calcium channel and methods for treatment of non-small cell lung cancer ORAI1, CACNA1E, CACNB2 KMT2A 4669/4885ALDH1A1 3852/4885LMNA 1177/4885

“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.