SCHEMBL6457978

SCHEMBL6457978

CN1CCCN(c2ccc(NC(=O)C3(NC(=O)c4ccc(Cl)s4)CCOCC3)cc2Cl)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.46
RAB9A P51151 9/20 0.46
NPC1 O15118 8/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
KMT2A Q03164 7/20 0.45
MITF O75030 1/20 0.45
MEN1 O00255 5/20 0.44
MAPT P10636 7/20 0.43
ALDH1A1 P00352 5/20 0.43
GAA P10253 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
PDE7A Q13946 1/20 0.42
LMNA P02545 5/20 0.42
HTT P42858 5/20 0.42
MAPK1 P28482 3/20 0.42
HPGD P15428 2/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 2/20 0.41

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
SCHEMBL6462240 0.92 F10 (0.46) F10RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL6457967 0.85 NPC1 (0.46) F10RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL3027948 0.82 KMT2A (0.43) F10RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL6459619 0.81 F10 (0.42) F10RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL8284247 0.78 F10 (0.45) F10RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL6454341 0.78 F10 (0.56) F10RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL6457987 0.78 AR (0.59) F10RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL3766845 0.77 KMT2A (0.42) F10RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL3781597 0.77 KMT2A (0.42) F10RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL2573467 0.77 KMT2A (0.42) F10RAB9ANPC1SMN1; SMN2KMT2A

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
WO-2005111013-A1 SUBSTITUTED THIOPHENE-2-CARBOXYLIC ACID AMIDES, THE PRODUCTION THEREOF AND THE USE THEREOF AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 WO disclosed
US-20050256107-A1 New substituted thiophene carboxamides, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-17 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-20050256107-A1 New substituted thiophene carboxamides, process for their preparation and their use as medicaments OTC, TPMT, ABCG2 F10 1901/4885RAB9A 3277/4885NPC1 1752/4885

“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.