SCHEMBL18200919

SCHEMBL18200919

c1ccc2cc(-c3nc4ccccc4c4c3cc(-c3ccc(-c5ccc(-c6cn7ccccc7n6)cc5)cc3)c3ccccc34)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 12/20 0.45
▸ NPC1 O15118 11/20 0.45
▸ ALDH1A1 P00352 7/20 0.45
▸ SMN1; SMN2 Q16637 6/20 0.45
▸ PKM P14618 5/20 0.45
▸ MAPK1 P28482 3/20 0.45
▸ KDM4E B2RXH2 10/20 0.45
▸ EPHX2 P34913 1/20 0.45
▸ POLB P06746 2/20 0.44
▸ GFER P55789 3/20 0.44
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MIF P14174 1/20 0.42
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ PTGS1 P23219 1/20 0.40
▸ PTGS2 P35354 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
SCHEMBL18200657 0.94 BACE1 (0.43) RAB9ANPC1ALDH1A1SMN1; SMN2PKM
SCHEMBL18200933 0.94 BACE1 (0.45) RAB9ANPC1ALDH1A1SMN1; SMN2PKM
SCHEMBL18200659 0.91 BACE1 (0.46) RAB9ANPC1ALDH1A1SMN1; SMN2PKM
SCHEMBL18200921 0.90 SCD (0.42) RAB9ANPC1ALDH1A1SMN1; SMN2PKM
SCHEMBL18346995 0.90 ALDH1A3 (0.53) RAB9ANPC1ALDH1A1SMN1; SMN2PKM
SCHEMBL18200677 0.85 TLR9 (0.39) RAB9ANPC1ALDH1A1SMN1; SMN2PKM
SCHEMBL18201318 0.85 KDM4E (0.41) RAB9ANPC1ALDH1A1SMN1; SMN2PKM
SCHEMBL18200666 0.84 ALDH1A3 (0.48) RAB9ANPC1ALDH1A1SMN1; SMN2PKM
SCHEMBL18200435 0.83 RAB9A (0.50) RAB9ANPC1ALDH1A1SMN1; SMN2PKM
SCHEMBL18201097 0.82 BACE1 (0.47) RAB9ANPC1ALDH1A1SMN1; SMN2PKM

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 RAB9A 2864/4885NPC1 3875/4885ALDH1A1 85/4885

“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.

Send feedback