SCHEMBL19009856

SCHEMBL19009856

O=S(=O)(c1ccccc1)c1c2ccccc2c(-c2nc3c4ccccc4c4ccccc4c3c3ncccc23)c2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.38
HTR6 P50406 4/20 0.38
NPY1R P25929 1/20 0.37
SLC40A1 Q9NP59 9/20 0.35
METAP2 P50579 2/20 0.35
METAP1 P53582 2/20 0.35
G6PD P11413 1/20 0.35
NFKBIA P25963 1/20 0.35
AGTR1 P30556 1/20 0.35
GLO1 Q04760 1/20 0.35
PAX8 Q06710 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MMP2 P08253 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL19009847 0.87 HTR6 (0.36) METHTR6TDP1ALDH1A1
SCHEMBL19009850 0.83 HTR6 (0.35) HTR6G6PDALDH1A1
SCHEMBL19009779 0.78 FFAR2 (0.35) METALDH1A1
SCHEMBL19009848 0.77 HTR6 (0.37) HTR6TDP1ALDH1A1
SCHEMBL19009792 0.76 FFAR2 (0.35) HTR6TDP1ALDH1A1
SCHEMBL19009791 0.74 FFAR2 (0.35) ALDH1A1
SCHEMBL19009862 0.69 HTR6 (0.38) HTR6NPY1RG6PDALDH1A1
SCHEMBL19009718 0.69 MEN1 (0.46) ATMALDH1A1
SCHEMBL21298320 0.68 HSP90AA1 (0.48) METAP2METAP1TDP1MMP2ALDH1A1
SCHEMBL19009846 0.67 TDP1 (0.35) HTR6TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170179407-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-22 US disclosed
US-20170179407-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-22 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-20170179407-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNT1 MET 4854/4885HTR6 3859/4885NPY1R 3808/4885

“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.