SCHEMBL7957744

SCHEMBL7957744

CC(=Cc1cccnc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.63
TBXAS1 P24557 10/20 0.62
CYP11B2 P19099 2/20 0.54
CYP19A1 P11511 1/20 0.54
MAPT P10636 3/20 0.54
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MAPK1 P28482 2/20 0.51
KDM4E B2RXH2 2/20 0.51
NPC1 O15118 1/20 0.51
JUN P05412 1/20 0.51
NFKB1 P19838 1/20 0.51
RAB9A P51151 1/20 0.51
GPR55 Q9Y2T6 1/20 0.51
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP11B1 P15538 1/20 0.48
APAF1 O14727 1/20 0.48
POLB P06746 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL7957742 1.00 AKR1C3 (0.63) AKR1C3TBXAS1CYP11B2CYP19A1MAPT
SCHEMBL7127950 0.87 MAPT (0.55) AKR1C3TBXAS1CYP11B2CYP19A1MAPT
SCHEMBL1583517 0.87 MAPT (0.55) AKR1C3TBXAS1CYP11B2CYP19A1MAPT
SCHEMBL25420502 0.84 MAPT (0.52) AKR1C3TBXAS1CYP11B2CYP19A1MAPT
SCHEMBL20095536 0.84 MAPT (0.52) AKR1C3TBXAS1CYP11B2CYP19A1MAPT
SCHEMBL6855117 0.83 MAPT (0.55) TBXAS1CYP11B2CYP19A1MAPTLMNA
SCHEMBL6856019 0.83 MAPT (0.55) TBXAS1CYP11B2CYP19A1MAPTLMNA
SCHEMBL11864148 0.81 CYP11B2 (0.58) TBXAS1CYP11B2CYP19A1MAPTLMNA
SCHEMBL8039279 0.80 MAPT (0.59) CYP11B2CYP19A1MAPTLMNASMN1; SMN2
SCHEMBL11063685 0.80 TBXAS1 (0.74) TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103834184-B A kind of high-modulus asphalt and preparation method thereof 山西省交通科学研究院 2016-09-28 CN claimed
EP-3191590-B1 SORBENT MATERIAL FOR SEPARATING BIO-MACROMOLECULES QUANTUMDX GROUP LTD (GB) 2024-02-21 EP disclosed
US-10792640-B2 Sorbent material for separating bio-macromolecules QUANTUMDX GROUP LIMITED (GB) 2020-10-06 US disclosed
US-9938258-B2 Substituted 2,3-dihydrobenzofuranyl compounds and uses thereof Karyopharm Therapeutics Inc. (US) 2018-04-10 US disclosed
US-20170282154-A1 SORBENT MATERIAL FOR SEPARATING BIO-MACROMOLECULES QUANTUMDX GROUP LIMITED (GB) 2017-10-05 US disclosed
EP-3191590-A1 SORBENT MATERIAL FOR SEPARATING BIO-MACROMOLECULES Quantumdx Group Limited (GB) 2017-07-19 EP disclosed
CN-103834184-B A kind of high-modulus asphalt and preparation method thereof 山西省交通科学研究院 2016-09-28 CN disclosed
US-20160221994-A1 Substituted 2,3-Dihydrobenzofuranyl Compounds And Uses Thereof Karyopharm Therapeutics Inc. 2016-08-04 US disclosed
WO-2016040697-A1 SORBENT MATERIAL FOR SEPARATING BIO-MACROMOLECULES QUANTUMDX GROUP LIMITED (GB) 2016-03-17 WO disclosed
EP-2925750-A1 SUBSTITUTED 2,3-DIHYDROBENZOFURANYL COMPOUNDS AND USES THEREOF Karyopharm Therapeutics, Inc. (US) 2015-10-07 EP disclosed
WO-2014085607-A1 SUBSTITUTED 2,3-DIHYDROBENZOFURANYL COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. (US) 2014-06-05 WO disclosed
US-6255490-B1 TREATING DISORDERS ASSOCIATED WITH CHANGES IN CHOLINERGIC ACTIVITY; NON-OPIATE BASED ANALGESIC FOR MODERATE TO SEVERE PAIN EQUALLY OR EXCEEDING THE POTENCY OF OPIATE ANALGESICS, YET LACKING ADDICTIVE SIDE EFFECTS UNIVERSITY OF VIRGINIA 2001-07-03 US disclosed
US-6117889-A 7-Azabicyclo-[2.2.1]-heptane and -heptene derivatives as analgesics and anti-inflammatory agents UNIVERSITY OF VIRGINIA (US) 2000-09-12 US disclosed
US-6060473-A 7-azabicyclo[2.2.1]-heptane and -heptene derivatives as cholinergic receptor ligands UCB S.A. - DTB (BE) 2000-05-09 US disclosed
EP-0778835-A4 7-AZABICYCLO 2.2.1]-HEPTANE AND -HEPTENE DERIVATIVES AS CHOLINERGIC RECEPTOR LIGANDS UNIV VIRGINIA (US) 1999-02-03 EP disclosed
US-5817679-A ANALGESICS, ANTIINFLAMMATORY AGENTS UNIVERSITY OF VIRGINIA (US) 1998-10-06 US disclosed
EP-0778835-A1 7-AZABICYCLO 2.2.1]-HEPTANE AND -HEPTENE DERIVATIVES AS CHOLINERGIC RECEPTOR LIGANDS UNIVERSITY OF VIRGINIA (US) 1997-06-18 EP disclosed
EP-0691971-A1 7-AZABICYCLO- 2.2.1]-HEPTANE AND -HEPTENE DERIVATIVES AS ANALGESICS AND ANTI-INFLAMMATORY AGENTS UNIVERSITY OF VIRGINIA (US) 1996-01-17 EP disclosed
WO-1994022868-A1 7-AZABICYCLO-[2.2.1]-HEPTANE AND -HEPTENE DERIVATIVES AS ANALGESICS AND ANTI-INFLAMMATORY AGENTS UNIVERSITY OF VIRGINIA (US) 1994-10-13 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-20160221994-A1 Substituted 2,3-Dihydrobenzofuranyl Compounds And Uses Thereof BCL6, MALT1, BCL3 AKR1C3 623/4885TBXAS1 4021/4885CYP11B2 65/4885

“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.