SCHEMBL84309

SCHEMBL84309

CCCCN(CCCC)c1cccs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
HTT P42858 4/20 0.37
LMNA P02545 4/20 0.37
MAPT P10636 4/20 0.37
NPSR1 Q6W5P4 3/20 0.37
POLB P06746 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HDAC3 O15379 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HPGD P15428 1/20 0.35
ESR2 Q92731 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MAPK1 P28482 1/20 0.34
GAA P10253 1/20 0.33
DRD2 P14416 1/20 0.33

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
SCHEMBL5888976 0.94 HDAC1 (0.36) KMT2AHTTLMNAMAPTNPSR1
SCHEMBL325229 0.86 KMT2A (0.38) KMT2AHTTLMNAMAPTNPSR1
SCHEMBL4756582 0.82 KMT2A (0.40) KMT2AHTTLMNAMAPTNPSR1
SCHEMBL6642474 0.81 KMT2A (0.36) KMT2AHTTLMNAMAPTNPSR1
SCHEMBL27459264 0.80 ALDH1A1 (0.37) KMT2ALMNAMAPTNPSR1POLB
SCHEMBL84280 0.79 ALDH1A1 (0.41) KMT2ALMNAMAPTNPSR1ALDH1A1
SCHEMBL4757636 0.77 HDAC1 (0.39) KMT2AHTTLMNAMAPTNPSR1
Fluoride SCHEMBL28515671 0.77 ALDH1A1 (0.40) KMT2ALMNAMAPTNPSR1ALDH1A1
SCHEMBL9420129 0.75 KMT2A (0.41) KMT2AHTTLMNAMAPTNPSR1
SCHEMBL13206636 0.75 MEN1 (0.36) KMT2ALMNAMAPTPOLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019154974-A1 THERMALLY STABLE NIR DYES FOR LASER WELDING OF PLASTIC MATERIALS Københavns Universitet (DK) 2019-08-15 WO disclosed
US-8129532-B2 Amino(oligo)thiophene dyes, preparation thereof, and optical methods of use THE UNIVERSITY OF CONNECTICUT (US) 2012-03-06 US disclosed
US-20090042227-A1 AMINO(OLIGO)THIOPHENE DYES, PREPARATION THEREOF, AND OPTICAL METHODS OF USE NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-02-12 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-20090042227-A1 AMINO(OLIGO)THIOPHENE DYES, PREPARATION THEREOF, AND OPTICAL METHODS OF USE NLN, NME4, OAT KMT2A 4161/4885HTT 1658/4885LMNA 3382/4885

“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.