SCHEMBL17071969

SCHEMBL17071969

Oc1ccc2ccccc2c1[C@@H]1NN=C(c2ccccc2)S1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MECP2 P51608 3/20 1.00
▸ MBD2 Q9UBB5 3/20 1.00
▸ RAB9A P51151 5/20 0.58
▸ NPC1 O15118 4/20 0.58
▸ MEN1 O00255 4/20 0.58
▸ KMT2A Q03164 4/20 0.58
▸ POLB P06746 4/20 0.58
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ NFKB2 Q00653 1/20 0.45
▸ RELA Q04206 1/20 0.45
▸ KDM4E B2RXH2 5/20 0.41
▸ MAPT P10636 5/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ GAA P10253 3/20 0.41
▸ HTT P42858 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ HPGD P15428 2/20 0.38
▸ ATM Q13315 1/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL12692358 1.00 MECP2 (1.00) MECP2MBD2RAB9ANPC1MEN1
SCHEMBL6267593 0.72 MECP2 (1.00) MECP2MBD2RAB9ANPC1MEN1
SCHEMBL6274214 0.69 RAB9A (0.52) MECP2MBD2RAB9ANPC1MEN1
SCHEMBL15858577 0.68 KDM4E (0.57) MECP2MBD2RAB9AMEN1KMT2A
SCHEMBL12443345 0.67 MEN1 (0.64) MECP2MBD2RAB9ANPC1MEN1
SCHEMBL11129658 0.66 MECP2 (0.49) MECP2MBD2MEN1KMT2APOLB
SCHEMBL10655998 0.65 CTH (0.59) MECP2MBD2RAB9ANPC1MEN1
SCHEMBL9260279 0.63 MECP2 (0.61) MECP2MBD2RAB9ANPC1MEN1
SCHEMBL619730 0.62 ESR1 (0.61) POLBKDM4EMAPTALDH1A1GAA
Ammonia Solution, Strong SCHEMBL10871253 0.60 ESR1 (0.59) POLBKDM4EMAPTALDH1A1GAA

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-20150252438-A1 AGENTS FOR REVERSING EPIGENETIC SILENCING OF GENES THE JOHNS HOPKINS UNIVERSITY 2015-09-10 — — 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-20150252438-A1 AGENTS FOR REVERSING EPIGENETIC SILENCING OF GENES MECP2, MBD2, GATAD2B MECP2 1/4885MBD2 2/4885RAB9A 3374/4885

“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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