SCHEMBL4923636

SCHEMBL4923636

CN(C)C(=O)NNC(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.57
NPC1 O15118 4/20 0.57
CTDSP1 Q9GZU7 2/20 0.57
SMN1; SMN2 Q16637 5/20 0.55
POLB P06746 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MAOA P21397 1/20 0.53
PTGS2 P35354 2/20 0.52
CYP2C9 P11712 1/20 0.51
LMNA P02545 2/20 0.49
HTT P42858 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
HDAC3 O15379 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
IDO1 P14902 1/20 0.48
ALOX15 P16050 1/20 0.48
HDAC1 Q13547 1/20 0.48
CA9 Q16790 1/20 0.48

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
SCHEMBL400890 0.82 RAB9A (0.77) RAB9ANPC1CTDSP1SMN1; SMN2POLB
SCHEMBL8074109 0.82 ALDH1A1 (0.52) RAB9ANPC1KDM4ELMNAALDH1A1
SCHEMBL39549 0.81 ALDH1A1 (0.54) RAB9ANPC1CTDSP1SMN1; SMN2POLB
SCHEMBL12324391 0.80 RAB9A (0.82) RAB9ANPC1CTDSP1SMN1; SMN2POLB
SCHEMBL2897981 0.79 RAB9A (0.65) RAB9ANPC1CTDSP1SMN1; SMN2POLB
SCHEMBL27773676 0.78 RAB9A (0.55) RAB9ANPC1CTDSP1SMN1; SMN2POLB
SCHEMBL4920522 0.78 MAPT (0.63) RAB9ANPC1SMN1; SMN2KDM4EPTGS2
SCHEMBL27814277 0.78 PTGS2 (0.53) RAB9ANPC1CTDSP1SMN1; SMN2POLB
SCHEMBL4921210 0.77 KDM4E (0.67) RAB9ANPC1CTDSP1SMN1; SMN2POLB
SCHEMBL28875360 0.76 SMN1; SMN2 (0.71) RAB9ANPC1CTDSP1SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080188678-A1 Near-infrared-absorbing organic electrochromic materials WANG ZHI YUAN 2008-08-07 US disclosed
US-6894111-B2 Organic electrochromic materials and polymers for optical attenuation in the near infrared region TWLINKS INC. (CA) 2005-05-17 US disclosed
US-6815528-B2 COMPLEX OF RUTHENIUM COMPOUND AND POLYMER TWLINKS INC. (CA) 2004-11-09 US disclosed
US-20030066989-A1 Organic electrochromic materials for optical attenuation in the near infrared region TWLINKS INC. (CA) 2003-04-10 US disclosed
US-20030010963-A1 Organic electrochromic materials and polymers for optical attenuation in the near infrared region TWLINKS INC. (CA) 2003-01-16 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-20080188678-A1 Near-infrared-absorbing organic electrochromic materials VDAC2, VDAC1, VAPA RAB9A 3887/4885NPC1 4479/4885CTDSP1 2174/4885

“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.