SCHEMBL3777826

SCHEMBL3777826

CCNC(=O)n1nc(-c2ccc(Cl)cc2)c2c(/N=C/N(C)C)ncnc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.41
▸ ALDH1A1 P00352 6/20 0.39
▸ KDM4E B2RXH2 5/20 0.39
▸ HTT P42858 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CA2 P00918 4/20 0.36
▸ CA4 P22748 4/20 0.36
▸ CA9 Q16790 4/20 0.36
▸ CA1 P00915 3/20 0.36
▸ CYP1A2 P05177 2/20 0.35

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
SCHEMBL3777832 1.00 MAPT (0.41) MAPTALDH1A1KDM4EHTTNPSR1
SCHEMBL13020475 0.88 NPSR1 (0.41) MAPTALDH1A1KDM4EHTTNPSR1
SCHEMBL3779241 0.80 SRC (0.55) ALDH1A1KDM4EHTTSMN1; SMN2MEN1
SCHEMBL13019972 0.76 SRC (0.61) MAPTALDH1A1KDM4EHTTNPSR1
SCHEMBL3788895 0.76 SRC (0.61) MAPTALDH1A1KDM4EHTTNPSR1
SCHEMBL3788898 0.76 SRC (0.61) MAPTALDH1A1KDM4EHTTNPSR1
SCHEMBL13020417 0.73 MAPT (0.51) MAPTALDH1A1KDM4ENPSR1SMN1; SMN2
SCHEMBL3711762 0.73 MAPT (0.51) MAPTALDH1A1KDM4ENPSR1SMN1; SMN2
SCHEMBL3711760 0.73 MAPT (0.51) MAPTALDH1A1KDM4ENPSR1SMN1; SMN2
SCHEMBL3781508 0.67 SRC (0.58) SMN1; SMN2MEN1KMT2ACYP1A2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 — — US disclosed
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 — — US disclosed
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 — — US disclosed
WO-2009062118-A2 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2009-05-14 — — 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-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING RAB1A, COPB1, GOLT1B MAPT 278/4885ALDH1A1 3475/4885KDM4E 4425/4885

“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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