SCHEMBL8304643

SCHEMBL8304643

CC(=O)Oc1ccc2[nH]cnc(=O)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 3/20 0.50
KDM4E B2RXH2 5/20 0.47
GLA P06280 3/20 0.47
GAA P10253 3/20 0.47
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
CA2 P00918 1/20 0.41
HTT P42858 2/20 0.40
AHR P35869 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40

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
SCHEMBL31603560 0.81 MMP12 (0.56) HTR1DKDM4EHTR1BHTR1AALDH1A1
SCHEMBL1875326 0.80 MMP12 (0.46) HTR1DKDM4EGLAGAAPDE3B
Bromide SCHEMBL2035222 0.78 KDM4E (0.39) KDM4EGLAGAAHTTAHR
SCHEMBL2017082 0.77 MMP12 (0.63) KDM4EGLAGAAPDE3BPDE3A
SCHEMBL641597 0.77 SLC2A1 (0.62) PDE3BPDE3ATUBB4ATUBBTUBA3C
SCHEMBL24723409 0.76 HTR1D (0.59) HTR1DKDM4EGLAGAACA2
SCHEMBL7290719 0.76 HTR1D (0.52) HTR1DKDM4EGLAGAAPDE3B
SCHEMBL4430431 0.74 TNFSF11 (0.50) KDM4EGLAGAAALDH1A1POLB
SCHEMBL202254 0.74 TNFSF11 (0.50) KDM4EGLAGAAALDH1A1POLB
SCHEMBL27693186 0.74 HTR1D (0.60) HTR1DKDM4EGLAGAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107674059-B Benzaheteroaromatic ring compound and preparation method and application thereof 中国药科大学 2020-04-14 CN disclosed
US-20130029939-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2013-01-31 US disclosed
EP-0790986-B1 ANILINE DERIVATIVES ZENECA LTD (GB) 1999-01-20 EP disclosed
US-5821246-A USEFUL AS TYROSINE KINASE INHIBITORS AND FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER ZENECA LIMITED (GB) 1998-10-13 US disclosed
EP-0790986-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1997-08-27 EP disclosed
WO-1996015118-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1996-05-23 WO disclosed
US-5457105-A anticancer use; e.g. 4-(3'-chloro-4'-fluoroanilino)-6,7-dimethoxyquinazoline (gefitinib) ZENECA LIMITED (GB) 1995-10-10 US 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-20130029939-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, HK1 HTR1D 3403/4885KDM4E 2231/4885GLA 62/4885

“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.