SCHEMBL6768992

SCHEMBL6768992

COc1cc2c(Cl)nccc2cc1I

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 4/20 0.46
PDE10A Q9Y233 3/20 0.43
PDE3B Q13370 2/20 0.43
PDE3A Q14432 2/20 0.43
CYP3A4 P08684 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ACHE P22303 3/20 0.41
USP2 O75604 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
MAPK1 P28482 2/20 0.41
CYP2C19 P33261 2/20 0.41
HIF1A Q16665 2/20 0.41
PDE2A O00408 1/20 0.41
ABCC4 O15439 1/20 0.41
PDE5A O76074 1/20 0.41
ABCB11 O95342 1/20 0.41

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
SCHEMBL31589356 0.86 TNF (0.57) TNFPDE10APDE3BPDE3ACYP3A4
SCHEMBL5358941 0.86 TNF (0.57) TNFPDE10APDE3BPDE3ACYP3A4
SCHEMBL30853086 0.81 APAF1 (0.47) TNFPDE10APDE3BPDE3ACYP3A4
SCHEMBL6326557 0.81 APAF1 (0.47) TNFPDE10APDE3BPDE3ACYP3A4
SCHEMBL1536597 0.80 TNF (0.48) TNFPDE10APDE3BPDE3ACYP3A4
SCHEMBL1205625 0.79 TNF (0.47) TNFPDE10APDE3BPDE3ACYP3A4
SCHEMBL25370499 0.77 SMN1; SMN2 (0.49) TNFPDE10APDE3BPDE3ACYP3A4
SCHEMBL1536600 0.77 TRPA1 (0.52) TNFPDE10APDE3BPDE3ACYP3A4
SCHEMBL628689 0.77 APAF1 (0.47) TNFPDE10APDE3BPDE3ACYP3A4
SCHEMBL12463975 0.77 TNF (0.46) TNFPDE10APDE3BPDE3ACYP3A4

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-111542516-B IRAK4 inhibitors and uses thereof 新标立亚医疗有限公司 2023-07-18 CN disclosed
US-20200385370-A1 APPARATUS FOR REMOVING BAD ODOR FROM TOILET SYNBLIA THERAPEUTICS, INC. 2020-12-10 US disclosed
US-20200385370-A1 APPARATUS FOR REMOVING BAD ODOR FROM TOILET SYNBLIA THERAPEUTICS, INC. 2020-12-10 US disclosed
EP-3704104-A1 IRAK4 INHIBITORS AND USES THEREOF Synblia Therapeutics, Inc. (US) 2020-09-09 EP disclosed
CN-111542516-A IRAK4 inhibitors and uses thereof 新标立亚医疗有限公司 2020-08-14 CN disclosed
US-6825181-B1 ORALLY ADMINISTRATED TO EXHIBIT A STRONG ANTICOAGULANT EFFECT BY INHIBITING ACTIVATED BLOOD- COAGULATION FACTOR X AJINOMOTO CO., INC. (JP) 2004-11-30 US disclosed
EP-1065200-A1 AMINOISOQUINOLINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2001-01-03 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-20200385370-A1 APPARATUS FOR REMOVING BAD ODOR FROM TOILET IRAK4, IRAK1, IRAK2 TNF 95/4885PDE10A 2384/4885PDE3B 1021/4885

“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.