SCHEMBL3421785

SCHEMBL3421785

COc1c(C2CC2c2ccc([N+](=O)[O-])cc2)cc(Br)cc1C1(C)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 4/20 0.41
TUBB P07437 4/20 0.41
TUBA3C P0DPH7 4/20 0.41
TUBA1B P68363 4/20 0.41
TUBA4A P68366 4/20 0.41
TUBB4B P68371 4/20 0.41
TUBB3 Q13509 4/20 0.41
TUBB2A Q13885 4/20 0.41
TUBB8 Q3ZCM7 4/20 0.41
TUBA3E Q6PEY2 4/20 0.41
TUBA1A Q71U36 4/20 0.41
TUBA1C Q9BQE3 4/20 0.41
TUBB6 Q9BUF5 4/20 0.41
TUBB2B Q9BVA1 4/20 0.41
TUBB1 Q9H4B7 4/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
PTGS2 P35354 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33

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
SCHEMBL726164 0.73 PTGS2 (0.52) PTGS2
SCHEMBL2111797 0.73 PTGS2 (0.52) PTGS2
SCHEMBL12991758 0.65 HSD17B10 (0.43) KMT2AMEN1CA1CA2HTR2A
SCHEMBL22335132 0.64 NPC1 (0.57) KMT2AMEN1
SCHEMBL725851 0.63 ERN1 (0.44) KMT2AMEN1CA1CA2
SCHEMBL15248884 0.59 IDO1 (0.54) KMT2AMEN1
SCHEMBL13043598 0.59 IDO1 (0.54) KMT2AMEN1
SCHEMBL20656970 0.59 KDM1A (0.50) HTR1A
SCHEMBL20656968 0.59 KDM1A (0.50) HTR1A
SCHEMBL12825221 0.58 TDP1 (0.55) KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158803-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-04-17 US disclosed
WO-2010122082-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO disclosed
US-20100272677-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS LEE EUN KYUNG 2010-10-28 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-20100272677-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS POLR2A, EIF2AK2, RRM2B TUBB4A 1659/4885TUBB 1445/4885TUBA3C 1170/4885

“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.