SCHEMBL3773526

SCHEMBL3773526

NC(=O)c1cccc(C(=O)NCc2cccc3ccccc23)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.61
▸ MTNR1A P48039 1/20 0.54
▸ CHRNB2 P17787 1/20 0.53
▸ CHRNA4 P43681 1/20 0.53
▸ MAPT P10636 2/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ PKM P14618 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ F10 P00742 3/20 0.53
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ CSNK1D P48730 1/20 0.52
▸ HDAC2 Q92769 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ ADORA2A P29274 1/20 0.49
▸ ADORA1 P30542 1/20 0.49
▸ NQO2 P16083 1/20 0.49

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
SCHEMBL3767060 0.86 CA2 (0.61) CA2MTNR1ACHRNB2CHRNA4MAPT
SCHEMBL3817884 0.85 CA2 (0.70) CA2MTNR1ACHRNB2CHRNA4MAPT
SCHEMBL1928101 0.83 CHRNB2 (0.64) CA2CHRNB2CHRNA4MAPTCYP1A2
SCHEMBL1927790 0.83 CA2 (0.57) CA2CHRNB2CHRNA4MAPTCYP1A2
SCHEMBL20015583 0.81 HDAC6 (0.64) CA2F10MEN1KMT2AHDAC2
SCHEMBL6824957 0.80 CHRNB2 (0.67) CA2MTNR1ACHRNB2CHRNA4MAPT
SCHEMBL1386337 0.79 MTNR1A (0.76) CA2MTNR1ACHRNB2CHRNA4MAPT
SCHEMBL28348828 0.78 HPGD (0.74) MAPTPKM
SCHEMBL6570852 0.78 CA2 (0.69) CA2CHRNB2CHRNA4MAPTMEN1
SCHEMBL1927457 0.78 CSNK1D (0.55) CA2CHRNB2CHRNA4MAPTCYP1A2

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-20100324086-A1 COMPOUNDS AND METHODS NOVASAID AB (SE) 2010-12-23 — — US claimed
US-20100324086-A1 COMPOUNDS AND METHODS NOVASAID AB (SE) 2010-12-23 — — US disclosed
WO-2009103778-A1 COMPOUNDS AND METHODS NOVASAID AB (SE) 2009-08-27 — — WO 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-20100324086-A1 COMPOUNDS AND METHODS IL1B, LITAF, CYP11B1 CA2 1905/4885MTNR1A 2339/4885CHRNB2 4840/4885

“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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