SCHEMBL2818901

SCHEMBL2818901

COc1ccccc1-c1c[nH]c(-c2ccc(F)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 1/20 0.51
TNKS O95271 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
METAP2 P50579 1/20 0.43
ALDH1A1 P00352 5/20 0.43
ALOX15 P16050 2/20 0.43
HSD17B10 Q99714 2/20 0.43
USP2 O75604 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
LMNA P02545 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
MAPT P10636 3/20 0.43
GAA P10253 2/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
POLB P06746 1/20 0.42
DCUN1D1 Q96GG9 2/20 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
SCHEMBL29662750 0.89 SQOR (0.48) SQORTNKSTNKS2PARP2ALDH1A1
SCHEMBL9731133 0.85 DCUN1D1 (0.53) METAP2ALDH1A1ALOX15HSD17B10MAPT
SCHEMBL4395803 0.84 METAP2 (0.42) SQORMETAP2ALDH1A1ALOX15HSD17B10
SCHEMBL12111476 0.83 ESR1 (0.48) SQORALDH1A1ALOX15USP2CYP1A2
SCHEMBL7140253 0.80 NPC1 (0.51) TNKSTNKS2PARP2ALDH1A1ALOX15
SCHEMBL1311183 0.80 MAPT (0.47) MAPTPOLBPDGFRBNPC1RAB9A
SCHEMBL26464236 0.79 TNKS (0.44) TNKSTNKS2PARP2ALOX15USP2
SCHEMBL29663064 0.78 TNKS (0.45) SQORTNKSTNKS2PARP2KIT
SCHEMBL12111702 0.78 SYK (0.59)
SCHEMBL12112575 0.78 PDGFRB (0.54) ALDH1A1ALOX15USP2CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256165-A1 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER HONGU MITSUYA 2010-10-07 US disclosed
US-7759373-B2 Large conductance calcium-activated K channel opener MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-20 US disclosed
CN-100540538-C High Conductivity Calcium-Activated K Channel Opener TANABE SEIYAKU CO (JP) 2009-09-16 CN disclosed
CN-101519386-A High Conductivity Calcium-Activated K Channel Opener TANABE SEIYAKU CO (JP) 2009-09-02 CN disclosed
US-20040127527-A1 Large conductance calcium-activated k channel opener MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-07-01 US disclosed
EP-1432690-A2 IMIDAZOLE, THIAZOLE AND OXAZOLE DERIVATIVES AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT AND/OR PREVENTION OF POLLAKIURIA OR URINARY INCONTINENCE Tanabe Seiyaku Co., Ltd. (JP) 2004-06-30 EP disclosed
CN-1503786-A High Conductivity Calcium-Activated K Channel Opener ������ҩ��ʽ���� 2004-06-09 CN disclosed
WO-2002083111-A2 IMIDAZOLE, THIAZOLE AND OXAZOLE DERIVATIVES AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT AND/OR PREVENTION OF POLLAKIURIA OR URINARY INCONTINENCE TANABE SEIYAKU CO., LTD. (JP) 2002-10-24 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 (2 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-20100256165-A1 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER KCNN3, KCNN2, KCNN1 SQOR 659/4885TNKS 2006/4885TNKS2 2581/4885
US-20040127527-A1 Large conductance calcium-activated k channel opener KCNN1, KCNN4, KCNN3 SQOR 783/4885TNKS 2072/4885TNKS2 2907/4885

“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.