SCHEMBL7957556

SCHEMBL7957556

O=[N+]([O-])c1cc(Cl)ccc1OCCBr

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 5/20 0.60
KDM4E B2RXH2 2/20 0.52
PDE7A Q13946 1/20 0.51
LMNA P02545 5/20 0.50
NPC1 O15118 3/20 0.49
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
RAB9A P51151 2/20 0.49
KMT2A Q03164 2/20 0.49
RECQL P46063 1/20 0.47
PRSS1 P07477 4/20 0.47
MAPK1 P28482 3/20 0.46
TSHR P16473 1/20 0.46
MAPT P10636 4/20 0.46
HPGD P15428 2/20 0.45
MEN1 O00255 1/20 0.45
PKM P14618 1/20 0.45
TP53 P04637 1/20 0.45
VCAM1 P19320 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
SCHEMBL2798909 0.92 S1PR4 (0.59) S1PR4KDM4EPDE7ALMNANPC1
SCHEMBL363493 0.84 S1PR4 (0.64) S1PR4KDM4EPDE7ALMNANPC1
SCHEMBL19174959 0.83 S1PR4 (0.67) S1PR4KDM4EPDE7ALMNANPC1
SCHEMBL29684617 0.83 S1PR4 (0.67) S1PR4KDM4EPDE7ALMNANPC1
SCHEMBL357386 0.83 S1PR4 (0.59) S1PR4KDM4EPDE7ALMNANPC1
SCHEMBL6575773 0.83 MEN1 (0.56) S1PR4KDM4ELMNANPC1ALDH1A1
SCHEMBL8653247 0.82 S1PR4 (0.50) S1PR4KDM4EPDE7ALMNANPC1
Hydrochloric Acid SCHEMBL515005 0.82 S1PR4 (0.58) S1PR4KDM4EPDE7ALMNANPC1
SCHEMBL358318 0.82 S1PR4 (0.61) S1PR4KDM4EPDE7ALMNANPC1
Hydrochloric Acid SCHEMBL515006 0.82 S1PR4 (0.61) S1PR4KDM4EPDE7ALMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3074403-B1 FLUORESCENT RED EMITTING FUNCTIONALIZABLE CALCIUM INDICATORS PARIS SCIENCES ET LETTRES - QUARTIER LATIN (FR) 2018-01-17 EP disclosed
US-9745318-B2 Fluorescent red emitting functionalizable calcium indicators PARIS SCIENCES ET LETTRES—QUARTIER LATIN (FR) 2017-08-29 US disclosed
US-9745318-B2 Fluorescent red emitting functionalizable calcium indicators PARIS SCIENCES ET LETTRES—QUARTIER LATIN (FR) 2017-08-29 US disclosed
US-20160376441-A1 FLUORESCENT RED EMITTING FUNCTIONALIZABLE CALCIUM INDICATORS PARIS SCIENCES ET LETTRES (FR) 2016-12-29 US disclosed
WO-2015078948-A1 FLUORESCENT RED EMITTING FUNCTIONALIZABLE CALCIUM INDICATORS PARIS SCIENCES ET LETTRES - QUARTIER LATIN (FR) 2015-06-04 WO disclosed
US-6329523-B1 FOR ANTIBACTERIAL PHARMACEUTICAL USE, USEFUL FOR IDENTIFYING METAL CHELATING SPECIES FOR ?HEAVY METAL? THERAPY; IMAGING AGENTS ISIS PHARMACEUTICALS, INC. 2001-12-11 US disclosed
US-6207826-B1 Macrocyclic compounds having nitrogen-containing linkages ISIS PHARMACEUTICALS, INC. 2001-03-27 US disclosed
US-6197965-B1 POLYARYLALKYLAMINO-SUBSTITUED PYRIDINE DERIVATIVES; DRUGS, MEDICINE, DIAGNOSTICS ISIS PHARMACEUTICALS, INC. 2001-03-06 US disclosed
EP-0817787-A4 NITROGENOUS MACROCYCLIC COMPOUNDS ISIS PHARMACEUTICALS INC (US) 2000-09-13 EP disclosed
WO-1998010286-A1 METHODS FOR PROCESSING CHEMICAL COMPOUNDS HAVING REACTIVE FUNCTIONAL GROUPS ISIS PHARMACEUTICALS, INC. (US) 1998-03-12 WO disclosed
EP-0817787-A1 NITROGENOUS MACROCYCLIC COMPOUNDS ISIS PHARMACEUTICALS, INC. (US) 1998-01-14 EP disclosed
WO-1996030377-A1 NITROGENOUS MACROCYCLIC COMPOUNDS ISIS PHARMACEUTICALS, INC. (US) 1996-10-03 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 (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-20160376441-A1 FLUORESCENT RED EMITTING FUNCTIONALIZABLE CALCIUM INDICATORS ORAI1, CHERP, CACNA1I S1PR4 4056/4885KDM4E 4422/4885PDE7A 3945/4885

“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.