SCHEMBL18201307

SCHEMBL18201307

c1ccc(-c2cc(-c3cccc(-c4ccc(-c5cc6c(-c7ccc8ccccc8c7)nc7ccccc7c6c6ccccc56)cc4)c3)cc(-c3ccccn3)n2)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.39
▸ METAP1 P53582 4/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ KLF5 Q13887 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ SIRT2 Q8IXJ6 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ DHODH Q02127 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ HTR5A P47898 1/20 0.35
▸ ACACA Q13085 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
SCHEMBL18201202 0.97 CYP2C9 (0.39) CYP2C9METAP1KDM4ELMNATSHR
SCHEMBL18200631 0.97 CYP2C9 (0.39) CYP2C9METAP1KDM4ELMNATSHR
SCHEMBL18200777 0.96 CYP2C9 (0.41) CYP2C9METAP1KDM4ELMNATSHR
SCHEMBL18200682 0.94 SIRT2 (0.38) CYP2C9METAP1KDM4ELMNATSHR
SCHEMBL18200640 0.91 SIRT2 (0.38) CYP2C9METAP1KDM4ELMNATSHR
SCHEMBL18201036 0.91 DHODH (0.44) CYP2C9METAP1KDM4ELMNATSHR
SCHEMBL18201208 0.90 CYP2C9 (0.38) CYP2C9METAP1KDM4ELMNATSHR
SCHEMBL18201304 0.90 DHODH (0.40) CYP2C9METAP1KDM4ELMNATSHR
SCHEMBL18200537 0.89 TSHR (0.41) METAP1KDM4ELMNATSHRHSD17B10
SCHEMBL18200618 0.89 MAPT (0.40) CYP2C9METAP1KDM4ELMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9728731-B2 Heterocyclic compound and organic light emitting device using same HEESUNG MATERIAL LTD. (KR) 2017-08-08 — — US disclosed
US-9728731-B2 Heterocyclic compound and organic light emitting device using same HEESUNG MATERIAL LTD. (KR) 2017-08-08 — — US disclosed
US-20160380208-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME HEESUNG MATERIAL LTD. (KR) 2016-12-29 — — US disclosed
EP-3088392-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME Heesung Material Ltd. (KR) 2016-11-02 — — 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-20160380208-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME NOTUM, DDT, CRY1 CYP2C9 31/4885METAP1 2608/4885KDM4E 1977/4885

“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.

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