SCHEMBL4099204

SCHEMBL4099204

CC=CC=NNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 1.00
LMNA P02545 4/20 1.00
MEN1 O00255 3/20 1.00
KMT2A Q03164 3/20 1.00
GAA P10253 2/20 1.00
RECQL P46063 1/20 1.00
TDP1 Q9NUW8 1/20 0.64
RAB9A P51151 3/20 0.62
NPC1 O15118 2/20 0.62
LARS1 Q9P2J5 2/20 0.59
MAOB P27338 9/20 0.58
MAOA P21397 5/20 0.58
ALDH1A1 P00352 1/20 0.58
GUSB P08236 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL4099199 1.00 MAPT (1.00) MAPTLMNAMEN1KMT2AGAA
SCHEMBL4094409 0.84 MEN1 (0.73) MAPTLMNAMEN1KMT2AGAA
SCHEMBL4094410 0.84 MEN1 (0.73) MAPTLMNAMEN1KMT2AGAA
SCHEMBL4090447 0.81 GAA (0.70) MAPTLMNAMEN1KMT2AGAA
SCHEMBL4090450 0.81 GAA (0.70) MAPTLMNAMEN1KMT2AGAA
SCHEMBL4090442 0.81 GAA (0.70) MAPTLMNAMEN1KMT2AGAA
SCHEMBL12643697 0.77 MAPT (1.00) MAPTLMNAMEN1KMT2AGAA
SCHEMBL30294200 0.74 MAPT (0.74) MAPTLMNAMEN1KMT2AGAA
SCHEMBL4098410 0.74 MEN1 (0.68) MAPTLMNAMEN1KMT2AGAA
SCHEMBL4098407 0.74 MEN1 (0.68) MAPTLMNAMEN1KMT2AGAA

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
US-20090203747-A1 NOVEL CHEMICAL COMPOUNDS AND THE USES THEREOF AS A MEDICINE TROPHOS PARC SCIENTIFIQUE LUMINY (FR) 2009-08-13 US claimed
US-20090203747-A1 NOVEL CHEMICAL COMPOUNDS AND THE USES THEREOF AS A MEDICINE TROPHOS PARC SCIENTIFIQUE LUMINY (FR) 2009-08-13 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-20090203747-A1 NOVEL CHEMICAL COMPOUNDS AND THE USES THEREOF AS A MEDICINE NLN, NQO1, APP MAPT 31/4885LMNA 2447/4885MEN1 1055/4885

“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.