SCHEMBL6835557

SCHEMBL6835557

NCc1cccc(C2CCCC2C(=O)Nc2ccc(N3CCCCC3=O)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.52
MAOB P27338 1/20 0.52
F10 P00742 7/20 0.45
HRH3 Q9Y5N1 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
GLA P06280 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 2/20 0.42
HPGD P15428 2/20 0.42
TSHR P16473 1/20 0.42
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
FPR1 P21462 1/20 0.40
FPR2 P25090 1/20 0.40
AURKA O14965 1/20 0.39

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
SCHEMBL6839750 1.00 KDM1A (0.52) KDM1AMAOBF10HRH3SMN1; SMN2
Hydrochloric Acid SCHEMBL6835549 0.99 KDM1A (0.51) KDM1AMAOBF10HRH3SMN1; SMN2
Hydrochloric Acid SCHEMBL6835548 0.99 KDM1A (0.51) KDM1AMAOBF10HRH3SMN1; SMN2
SCHEMBL6840553 0.91 KDM1A (0.55) KDM1AMAOBF10HRH3SMN1; SMN2
SCHEMBL6840555 0.91 KDM1A (0.55) KDM1AMAOBF10HRH3SMN1; SMN2
SCHEMBL6835595 0.86 KDM1A (0.59) KDM1AMAOBF10HRH3SMN1; SMN2
SCHEMBL6842235 0.86 KDM1A (0.59) KDM1AMAOBF10HRH3SMN1; SMN2
SCHEMBL6842236 0.86 KDM1A (0.59) KDM1AMAOBF10HRH3SMN1; SMN2
SCHEMBL6842273 0.84 KDM1A (0.59) KDM1AMAOBF10HRH3SMN1; SMN2
SCHEMBL5164898 0.78 SMN1; SMN2 (0.52) KDM1AMAOBF10SMN1; SMN2NPC1

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
US-20040082563-A1 Phenyl derivatives 3 MERCK PATENT GMBH (DE) 2004-04-29 US claimed
US-20040082563-A1 Phenyl derivatives 3 MERCK PATENT GMBH (DE) 2004-04-29 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-20040082563-A1 Phenyl derivatives 3 F2, F11, F12 KDM1A 452/4885MAOB 435/4885F10 5/4885

“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.