SCHEMBL6555987

SCHEMBL6555987

O=C(NOc1cc(Cl)cc(Cl)c1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.51
MAPT P10636 3/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
RAB9A P51151 6/20 0.46
NPC1 O15118 5/20 0.46
MRGPRX4 Q96LA9 1/20 0.44
KCNK3 O14649 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
KCNMA1 Q12791 1/20 0.44
PTGS2 P35354 1/20 0.44
PNLIP P16233 1/20 0.43
HDAC3 O15379 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
IDO1 P14902 1/20 0.42
ALOX15 P16050 1/20 0.42
HDAC1 Q13547 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL126697 0.81 ALDH1A1 (0.59) MAPTKMT2AALDH1A1POLBRAB9A
SCHEMBL6557528 0.80 NPC1 (0.55) MAPTKMT2AALDH1A1POLBRAB9A
SCHEMBL13992563 0.78 ALDH1A1 (0.71) NPSR1MAPTKMT2AALDH1A1POLB
SCHEMBL29251267 0.75 KMT2A (0.52) MAPTKMT2AALDH1A1POLBRAB9A
SCHEMBL28358263 0.75 HDAC8 (0.53) MAPTKMT2AALDH1A1POLBRAB9A
SCHEMBL27634795 0.74 JAK2 (0.56) MAPTKMT2AALDH1A1POLBRAB9A
SCHEMBL27800573 0.74 NPC1 (0.56) MAPTKMT2AALDH1A1POLBRAB9A
SCHEMBL10524163 0.73 LMNA (0.44) KMT2AALDH1A1POLBRAB9ANPC1
SCHEMBL6667710 0.73 RAB9A (0.74) NPSR1MAPTKMT2ARAB9ANPC1
SCHEMBL5787359 0.73 MAPT (0.58) MAPTKMT2AALDH1A1MRGPRX4MEN1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1468680-A2 Using allosteric hemoglobin modifiers to decrease oxygen affinity in blood Virginia Commonwealth University Intellectual Property Foundation, Inc. (US) 2004-10-20 EP disclosed
EP-0585366-B1 USING ALLOSTERIC HEMOGLOBIN MODIFIERS TO DECREASE OXYGEN AFFINITY IN BLOOD UNIV VIRGINIA COMMONWEALTH (US) 2004-04-28 EP disclosed
EP-1236711-B1 Using allosteric hemoglobin modifiers to decrease oxygen affinity in blood UNIV VIRGINIA COMMONWEALTH (US) 2004-03-03 EP disclosed
EP-1236711-A2 Using allosteric hemoglobin modifiers to decrease oxygen affinity in blood Virginia Commonwealth University Intellectual Property Foundation, Inc. (US) 2002-09-04 EP disclosed
US-5927283-A TREATING DISEASES INVOLVING OXYGEN DEFICIENCY, IN WOUND HEALING, AND IN RESTORING OXYGEN AFFINITY OF STORED BLOOD. VIRGINIA COMMONWEALTH UNIVERSITY (US) 1999-07-27 US disclosed
US-5872282-A MAINTAIN OXYGEN AFFINITY IN BLOOD WHEN STORED VIRGINIA COMMONWEALTH UNIVERSITY (US) 1999-02-16 US disclosed
US-5731454-A Allosteric modifiers of hemoglobin useful for decreasing oxygen affinity and preserving oxygen carrying capability of stored blood VIRGINIA COMMONWEALTH UNIVERSITY (US) 1998-03-24 US disclosed
US-5705521-A Use of allosteric hemoglobin modifiers in combination with radiation therapy to treat carcinogenic tumors THE CENTER FOR INNOVATIVE TECHNOLOGY (US) 1998-01-06 US disclosed
US-5677330-A THERAPY HYPOXIA, HYPOTHERMIA, ISCHEMIC, WOUNDS, ULCERS, TISSUE TRANSPLANTS, SESPIS THE CENTER FOR INNOVATIVE TECHNOLOGY (US) 1997-10-14 US disclosed
US-5591892-A CARBOXYALKOXYPHENYL SUBSTITUTED INDANES CENTER FOR INNOVATIVE TECHNOLOGY (US) 1997-01-07 US disclosed
EP-0585366-A1 USING ALLOSTERIC HEMOGLOBIN MODIFIERS TO DECREASE OXYGEN AFFINITY IN BLOOD CENTER FOR INNOVATIVE TECHNOLOGY (US) 1994-03-09 EP disclosed
US-5290803-A Using allosteric hemoglobin modifiers to decrease oxygen affinity in blood THE CENTER OF INNOVATIVE TECHNOLOGY (US) 1994-03-01 US disclosed
US-5250701-A 2-(Phthalomidomethylphenoxyalkanoic acid or ester; wound healing agents; antiischemic agents; blood storage; antidepressants; Alzheimer's disease; schizophrenia CENTER FOR INNOVATIVE TECHNOLOGY (US) 1993-10-05 US disclosed
US-5248785-A Using allosteric hemoglobin modifiers to decrease oxygen affinity in blood VIRGINIA COMMONWEALTH UNIVERSITY (US) 1993-09-28 US disclosed
WO-1992020335-A1 USING ALLOSTERIC HEMOGLOBIN MODIFIERS TO DECREASE OXYGEN AFFINITY IN BLOOD CENTER FOR INNOVATIVE TECHNOLOGY (US) 1992-11-26 WO disclosed
EP-0471811-A4 ALLOSTERIC HEMOGLOBIN MODIFIERS 1992-11-25 EP disclosed
US-5122539-A Allosteric hemoglobin modifiers useful for decreasing oxygen affinity and preserving oxygen carrying capability of stored blood CENTER FOR INNOVATIVE TECHNOLOGY (US) 1992-06-16 US disclosed
EP-0471811-A1 ALLOSTERIC HEMOGLOBIN MODIFIERS. INNOVATIVE TECH CENTER (US) 1992-02-26 EP disclosed
US-5049695-A Substituted diphenyl carbamates CENTER FOR INNOVATIVE TECHNOLOGY (US) 1991-09-17 US disclosed
WO-1991012235-A1 ALLOSTERIC HEMOGLOBIN MODIFIERS CENTER FOR INNOVATIVE TECHNOLOGY (US) 1991-08-22 WO disclosed