SCHEMBL20179306

SCHEMBL20179306

c1ccc(-c2nc(-c3cc(-c4cncc(-c5nc(-c6cccnc6)nc(-c6cccc7c6-c6c(oc8ccccc68)C76c7ccccc7-c7ccccc76)n5)c4)ccn3)nc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4c3oc3ccccc43)n2)nc1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GRM5 P41594 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
TSHR P16473 1/20 0.33
PRKDC P78527 1/20 0.32
PDK2 Q15119 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
CYP2A6 P11509 1/20 0.30

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
SCHEMBL20174383 0.84 ALDH1A1 (0.41) RAB9ASMN1; SMN2NPC1TP53TSHR
SCHEMBL20174394 0.81 KDM4E (0.41) RAB9ASMN1; SMN2GRM5NPC1TP53
SCHEMBL20174711 0.78 SMN1; SMN2 (0.40) RAB9ASMN1; SMN2GRM5NPC1TP53
SCHEMBL20174414 0.77 ALDH1A1 (0.38) RAB9ASMN1; SMN2NPC1TP53TSHR
SCHEMBL20174399 0.76 KDM4E (0.38) RAB9ASMN1; SMN2GRM5NPC1TP53
SCHEMBL20174395 0.76 PLA2G2A (0.33) SMN1; SMN2TP53TSHRKDM4EALDH1A1
SCHEMBL20179304 0.75 RAB9A (0.33) RAB9ASMN1; SMN2GRM5NPC1TP53
SCHEMBL20174320 0.73 MAPT (0.33) SMN1; SMN2TP53TSHRPDK2KDM4E
SCHEMBL18732054 0.72 ALDH1A1 (0.39) RAB9ASMN1; SMN2NPC1TP53TSHR
SCHEMBL22326572 0.72 PDK2 (0.30) PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-24 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-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG RAB9A 2250/4885SMN1; SMN2 3407/4885GRM5 2692/4885

“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.