SCHEMBL22063015

SCHEMBL22063015

CC1=NNC(c2ccccc2)S1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MECP2 P51608 3/20 0.49
▸ MBD2 Q9UBB5 3/20 0.49
▸ RAB9A P51151 8/20 0.47
▸ NPC1 O15118 7/20 0.47
▸ SMN1; SMN2 Q16637 5/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ NFKB2 Q00653 1/20 0.47
▸ RELA Q04206 1/20 0.47
▸ ALDH1A1 P00352 6/20 0.44
▸ KDM4E B2RXH2 6/20 0.44
▸ MAPT P10636 6/20 0.44
▸ POLB P06746 2/20 0.44
▸ HPGD P15428 4/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL6274213 0.67 RAB9A (0.57) MECP2MBD2RAB9ANPC1SMN1; SMN2
SCHEMBL9262457 0.67 MECP2 (0.59) MECP2MBD2RAB9ANPC1SMN1; SMN2
SCHEMBL19036527 0.67 ALDH1A1 (0.39) MECP2MBD2RAB9ANPC1SMN1; SMN2
SCHEMBL9260279 0.66 MECP2 (0.61) MECP2MBD2RAB9ANPC1SMN1; SMN2
SCHEMBL6274214 0.66 RAB9A (0.52) MECP2MBD2RAB9ANPC1SMN1; SMN2
SCHEMBL12692361 0.66 MECP2 (1.00) MECP2MBD2RAB9ANPC1SMN1; SMN2
SCHEMBL6267593 0.66 MECP2 (1.00) MECP2MBD2RAB9ANPC1SMN1; SMN2
SCHEMBL22063724 0.63 MECP2 (0.36) MECP2MBD2RAB9ANPC1SMN1; SMN2
SCHEMBL19382255 0.61 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL13696590 0.61 MEN1 (0.37) NPC1ALDH1A1KDM4EMAPTHPGD

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 872/4885RAB9A 2941/4885

“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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