SCHEMBL22945158

SCHEMBL22945158

c1ccc(-c2nc(N3c4cc5ccccc5cc4-c4cccc5cccc3c45)nc3c2oc2ccccc23)nc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.34
NPC1 O15118 4/20 0.32
RAB9A P51151 3/20 0.32
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
TGFBR1 P36897 1/20 0.32
AHR P35869 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPT P10636 4/20 0.32
KDM4E B2RXH2 3/20 0.32
HPGD P15428 2/20 0.32
MAPK1 P28482 2/20 0.32
HSD17B10 Q99714 2/20 0.32
TP53 P04637 1/20 0.32
LMNA P02545 4/20 0.32
HTR2C P28335 1/20 0.31
DRD4 P21917 1/20 0.31
HTT P42858 2/20 0.31

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
SCHEMBL22944914 0.93 TSHR (0.32) TSHRNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL22944719 0.92 TSHR (0.36) TSHRNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL22944910 0.89 TSHR (0.34) TSHRNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL22946034 0.89 ALOX5 (0.35) TSHRNPC1RAB9AALDH1A1CYP1A2
SCHEMBL22945183 0.88 NPC1 (0.34) TSHRNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL22945327 0.88 NPC1 (0.32) TSHRNPC1RAB9AALDH1A1CYP1A2
SCHEMBL22944859 0.87 TGFBR1 (0.34) TSHRNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL22944891 0.87 HSD17B10 (0.33) TSHRNPC1RAB9AALDH1A1CYP1A2
SCHEMBL22945680 0.87 TSHR (0.36) TSHRALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL22944776 0.86 TGFBR1 (0.34) TSHRNPC1RAB9AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11812658-B2 Compound and organic light emitting diode comprising same LG CHEM, LTD. (KR) 2023-11-07 US disclosed
US-11812658-B2 Compound and organic light emitting diode comprising same LG CHEM, LTD. (KR) 2023-11-07 US disclosed
US-20210036236-A1 COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2021-02-04 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 (2 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-20210036236-A1 COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME DRD1, DRD3, DRD2 TSHR 716/4885NPC1 2397/4885RAB9A 1587/4885
US-11812658-B2 Compound and organic light emitting diode comprising same DRD1, DRD3, DRD2 TSHR 716/4885NPC1 2397/4885RAB9A 1587/4885

“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.