SCHEMBL22063724

SCHEMBL22063724

C1=NNC(c2ccccc2)S1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MECP2 P51608 2/20 0.36
▸ MBD2 Q9UBB5 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ CA2 P00918 2/20 0.34
▸ P2RX7 Q99572 2/20 0.32
▸ KMT2A Q03164 2/20 0.32

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
SCHEMBL19382255 0.64 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL22063015 0.63 MECP2 (0.49) MECP2MBD2NPC1RAB9ANFKB1
SCHEMBL9523393 0.62 TSHR (0.36) MECP2MBD2NPC1RAB9ANFKB1
SCHEMBL18676170 0.62 NOS2 (0.39) RAB9ASMN1; SMN2ALDH1A1HPGDCYP1A2
SCHEMBL16539249 0.59 NOS2 (0.41) SMN1; SMN2CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL14438929 0.59 MEN1 (0.40) NPC1SMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL15593069 0.58 P2RX7 (0.60) NPC1RAB9AALDH1A1HPGDHSD17B10
SCHEMBL22063723 0.56 TSHR (0.33) TSHRCA2SLC18A3SIGMAR1
SCHEMBL22506864 0.56 CYP2C19 (0.39) ALDH1A1HPGDHSD17B10CYP1A2CYP3A4
SCHEMBL132148 0.56 TSHR (0.36) HSD17B10CYP1A2CYP3A4CYP2D6CYP2C9

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-20200185619-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2020-06-11 — — 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-20200185619-A1 ORGANIC LIGHT-EMITTING DEVICE LEF1, OR10J3, CRY1 MECP2 1816/4885MBD2 872/4885NPC1 2444/4885

“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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