SCHEMBL22001702

SCHEMBL22001702

COc1ccc(NO)cc1C1NN=C(c2ccccc2)S1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.51
NPC1 O15118 7/20 0.51
POLB P06746 5/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
MAPT P10636 9/20 0.49
GAA P10253 3/20 0.49
LMNA P02545 2/20 0.49
ALDH1A1 P00352 8/20 0.47
KDM4E B2RXH2 6/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
MECP2 P51608 3/20 0.46
MBD2 Q9UBB5 3/20 0.46
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
HPGD P15428 4/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL8067145 0.61 HTR7 (0.55) LMNAALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL24268250 0.59 TSHR (0.42) POLBMEN1KMT2AMAPTGAA
SCHEMBL16966255 0.58 ALDH1A1 (0.53) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL12800015 0.58 POLB (0.51) POLBKMT2AMAPTALDH1A1KDM4E
SCHEMBL8066265 0.58 HTR1A (0.46) KMT2AMAPTLMNAALDH1A1KDM4E
SCHEMBL22548901 0.57 CYP1A1 (0.51) RAB9ANPC1POLBMEN1KMT2A
SCHEMBL8028328 0.57 PDE4B (0.41) MAPT
SCHEMBL24138613 0.56 MECP2 (0.53) RAB9ANPC1POLBMEN1KMT2A
SCHEMBL21992018 0.56 TP53 (0.49) MEN1KMT2AMAPT
SCHEMBL8031101 0.56 HDAC4 (0.46) MEN1KMT2AMAPTLMNAALDH1A1

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-20200149112-A1 AGENTS FOR REVERSING EPIGENETIC SILENCING OF GENES THE JOHNS HOPKINS UNIVERSITY 2020-05-14 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-20200149112-A1 AGENTS FOR REVERSING EPIGENETIC SILENCING OF GENES MECP2, MBD2, GATAD2B RAB9A 3374/4885NPC1 4094/4885POLB 503/4885

“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.