SCHEMBL21155172

SCHEMBL21155172

O=[N+]([O-])c1ccccc1-c1cc2sc3ccccc3c2c2nc3ccccc3nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.43
▸ MAPT P10636 6/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ GUSB P08236 1/20 0.43
▸ F2 P00734 1/20 0.43
▸ C1R P00736 1/20 0.43
▸ PIM1 P11309 2/20 0.40
▸ PIM3 Q86V86 2/20 0.40
▸ RAB9A P51151 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ MGAM O43451 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ SI P14410 1/20 0.38
▸ MGAM2 Q2M2H8 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ KLK3 P07288 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ PKM P14618 1/20 0.36

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
SCHEMBL21155840 0.87 MEN1 (0.46) KMT2AMAPTMEN1GUSBF2
SCHEMBL21114912 0.84 TXNRD1 (0.42) KMT2AMAPTMEN1GUSBF2
SCHEMBL21155838 0.83 ALDH1A1 (0.38) KMT2AMAPTMEN1GUSBF2
SCHEMBL16231228 0.82 ALDH1A1 (0.44) KMT2AMAPTMEN1GUSBF2
SCHEMBL21155836 0.81 MAPT (0.47) KMT2AMAPTMEN1RAB9ANPC1
SCHEMBL21155177 0.80 POLB (0.43) KMT2AMAPTMEN1GUSBF2
SCHEMBL16218709 0.76 TDP1 (0.47) KMT2AMAPTMEN1GUSBF2
SCHEMBL21155436 0.75 ALDH1A1 (0.39) KMT2AMAPTMEN1GUSBF2
SCHEMBL18688163 0.74 MAOB (0.40) KMT2AMAPTMEN1GUSBF2
SCHEMBL16856147 0.73 TDP1 (0.43) KMT2AMAPTMEN1GUSBF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3512848-B1 COMPOUNDS WITH CARBAZOLE STRUCTURES MERCK PATENT GMBH (DE) 2020-11-18 — — EP disclosed
US-20190214574-A1 COMPOUNDS WITH CARBAZOLE STRUCTURES MERCK PATENT GMBH (DE) 2019-07-11 — — 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-20190214574-A1 COMPOUNDS WITH CARBAZOLE STRUCTURES CYCS, CYP3A4, CYP2E1 KMT2A 2077/4885MAPT 2010/4885MEN1 3510/4885

“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.

Send feedback