SCHEMBL5866362

SCHEMBL5866362

C=CC[N+](C)(C)CCCNC(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.52
KMT2A Q03164 1/20 0.52
ATM Q13315 1/20 0.52
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
HDAC1 Q13547 4/20 0.49
HDAC2 Q92769 4/20 0.49
HDAC8 Q9BY41 4/20 0.49
HDAC6 Q9UBN7 4/20 0.49
HDAC3 O15379 3/20 0.49
HDAC4 P56524 3/20 0.49
HDAC7 Q8WUI4 3/20 0.49
HDAC10 Q969S8 3/20 0.49
HDAC11 Q96DB2 3/20 0.49
HDAC9 Q9UKV0 3/20 0.49
HDAC5 Q9UQL6 3/20 0.49
ALDH1A1 P00352 3/20 0.48
LMNA P02545 2/20 0.48
HPGD P15428 2/20 0.48
POLB P06746 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
Bromide SCHEMBL11438358 0.82 NAAA (0.54) NAAAKMT2AATMNPC1HDAC7
Hydrochloric Acid SCHEMBL29140955 0.79 NAAA (0.61) NAAAKMT2ANPC1RAB9AHDAC1
SCHEMBL5866395 0.79 KMT2A (0.63) KMT2AATMNPC1RAB9AHDAC1
SCHEMBL31267580 0.77 NPC1 (0.60) NAAANPC1RAB9AHDAC1HDAC2
SCHEMBL28561046 0.77 NAAA (0.55) NAAANPC1RAB9AHDAC1HDAC2
Hydrochloric Acid SCHEMBL5683129 0.76 RAB9A (0.46) NAAAKMT2ANPC1RAB9AHDAC2
SCHEMBL8779817 0.75 HDAC1 (0.79) NAAANPC1RAB9AHDAC1HDAC2
SCHEMBL9491686 0.75 NPC1 (0.75) NAAANPC1RAB9AHDAC1HDAC2
SCHEMBL8007465 0.74 LMNA (0.60) NAAAKMT2ANPC1RAB9AHDAC1
SCHEMBL15071554 0.74 LMNA (0.61) NAAANPC1RAB9AHDAC1HDAC2

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-7147866-B2 UV-absorbing lipid vesicles GALAXY SURFACTANTS LIMITED (IN) 2006-12-12 US disclosed
US-20060067893-A1 UV-absorbing lipid vesicles GALAXY SURFACTANTS LIMITED (IN) 2006-03-30 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-20060067893-A1 UV-absorbing lipid vesicles MBOAT1, ARCN1, NPC1L1 NAAA 842/4885KMT2A 3515/4885ATM 3419/4885

“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.