SCHEMBL2852275

SCHEMBL2852275

O=C(O)Cc1cscc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.50
PTPN1 P18031 1/20 0.41
AKR1B1 P15121 2/20 0.39
KDM4E B2RXH2 2/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36
GSK3B P49841 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
DHODH Q02127 1/20 0.35
APEX1 P27695 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
HSD17B10 Q99714 2/20 0.34
DUSP3 P51452 1/20 0.34
PTPN5 P54829 1/20 0.34
PTPN11 Q06124 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
BCAT2 O15382 1/20 0.34
GABRA5 P31644 1/20 0.33
GABRB2 P47870 1/20 0.33

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
SCHEMBL22528255 0.84 AKR1B1 (0.46) CYP2C9AKR1B1KDM4ECYP1A2MAPT
SCHEMBL11636597 0.80 CYP2C9 (0.51) CYP2C9PTPN1CYP1A2GSK3BDHODH
SCHEMBL20049577 0.78 CYP2C9 (0.50) CYP2C9PTPN1KDM4ECYP1A2GSK3B
SCHEMBL128894 0.78 CYP2C9 (0.50) CYP2C9PTPN1CYP1A2GSK3BDHODH
SCHEMBL3635028 0.78 CYP2C9 (0.50) CYP2C9PTPN1CYP1A2GSK3BDHODH
SCHEMBL68448 0.75 PTPN1 (0.54) CYP2C9PTPN1KDM4ECYP1A2GSK3B
SCHEMBL14048656 0.75 CYP2C9 (0.47) CYP2C9PTPN1CYP1A2GSK3BDHODH
SCHEMBL27942977 0.75 HMGB1 (0.49) CYP2C9PTPN1KDM4EMAPTGSK3B
SCHEMBL9585682 0.75 ALDH1A1 (0.50) KDM4ETDP1HSD17B10TSHRALDH1A1
SCHEMBL17536611 0.74 ALOX15 (0.41) AKR1B1MAPTKEAP1NFE2L2TDP1

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
US-20100261706-A1 SUBSTITUTED TETRACYCLIC 1H-INDENO [1,2-B]PYRIDINE-2(5H)-ONE ANALOGS THEREOF AND USES THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-10-14 US disclosed
US-20100261706-A1 SUBSTITUTED TETRACYCLIC 1H-INDENO [1,2-B]PYRIDINE-2(5H)-ONE ANALOGS THEREOF AND USES THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-10-14 US disclosed
US-20100261706-A1 SUBSTITUTED TETRACYCLIC 1H-INDENO [1,2-B]PYRIDINE-2(5H)-ONE ANALOGS THEREOF AND USES THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-10-14 US disclosed
WO-2010077663-A2 SUBSTITUTED TETRACYCLIC 1H-INDENO (1,2-B) PYRIDINE-2 (5H)-ONE ANALOGS THEREOF AND USES THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-07-08 WO disclosed
WO-2010077663-A2 SUBSTITUTED TETRACYCLIC 1H-INDENO (1,2-B) PYRIDINE-2 (5H)-ONE ANALOGS THEREOF AND USES THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-07-08 WO disclosed
US-5258360-A Fungicides, insecticides or plant growth regulators IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-11-02 US disclosed
US-5160364-A Thiophene substituted acrylic derivatives; insecticides, plant growth regulators IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-11-03 US disclosed
US-5073184-A Agricultural fungicides, insecticides, plant growth regulators IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-12-17 US disclosed
US-5053073-A THIOPHENE DERIVATIVES USEFUL AS FUNGICIDAL, INSECTICIDAL OR PLANT GROWTH REGULATING AGENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-10-01 US disclosed
EP-0243014-B1 FUNGICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-03-06 EP disclosed
US-4863503-A THIOPHENE DERIVATIVES, INSECTICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-09-05 US disclosed
EP-0243014-A1 Fungicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-10-28 EP 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-20100261706-A1 SUBSTITUTED TETRACYCLIC 1H-INDENO [1,2-B]PYRIDINE-2(5H)-ONE ANALOGS THEREOF AND USES THEREOF TNNI3, TNNT2, ALDH1A2 CYP2C9 1832/4885PTPN1 2333/4885AKR1B1 353/4885

“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.