SCHEMBL17289201

SCHEMBL17289201

C=Cc1ccc(C(=NCCC)NCCC)cc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.41
TAS1R1 Q7RTX1 2/20 0.41
NAMPT P43490 1/20 0.37
ALDH1A1 P00352 5/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
LMNA P02545 1/20 0.32
KDM4E B2RXH2 1/20 0.31
PELI1 Q96FA3 1/20 0.30

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
SCHEMBL11873464 0.80 SMN1; SMN2 (0.48) ALDH1A1KMT2ASMN1; SMN2LMNAKDM4E
SCHEMBL11873455 0.80 SMN1; SMN2 (0.48) ALDH1A1KMT2ASMN1; SMN2LMNAKDM4E
SCHEMBL524069 0.76 TAS1R3 (0.41) TAS1R3TAS1R1NAMPTALDH1A1SMN1; SMN2
SCHEMBL10148831 0.76 TAS1R3 (0.41) TAS1R3TAS1R1NAMPTALDH1A1SMN1; SMN2
SCHEMBL18229944 0.76 TAS1R3 (0.41) TAS1R3TAS1R1NAMPTALDH1A1SMN1; SMN2
SCHEMBL15846049 0.74 TAS1R3 (0.45) TAS1R3TAS1R1NAMPTALDH1A1KMT2A
SCHEMBL27353786 0.74 TAS1R3 (0.60) TAS1R3TAS1R1NAMPTALDH1A1KMT2A
SCHEMBL11680051 0.74 ALDH1A1 (0.44) ALDH1A1KMT2ALMNAKDM4E
SCHEMBL23750710 0.73 TAS1R3 (0.41) TAS1R3TAS1R1NAMPTALDH1A1KMT2A
SCHEMBL11874523 0.73 L3MBTL1 (0.38) NAMPTALDH1A1KMT2ASMN1; SMN2KDM4E

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
US-10772822-B2 Molecularly imprinted polymers and their use as antidandruff agents L'OREAL (FR) 2020-09-15 US disclosed
EP-2938641-B1 MOLECULARLY IMPRINTED POLYMERS AND THEIR USE AS ANTIDANDRUFF AGENTS ORÉAL L (FR) 2016-08-24 EP disclosed
US-20150342859-A1 MOLECULARLY IMPRINTED POLYMERS AND THEIR USE AS ANTIDANDRUFF AGENTS L'OREAL (FR) 2015-12-03 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 (2 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-10772822-B2 Molecularly imprinted polymers and their use as antidandruff agents DNMT1, POLR1C, ETF1 TAS1R3 876/4885TAS1R1 921/4885NAMPT 2120/4885
US-20150342859-A1 MOLECULARLY IMPRINTED POLYMERS AND THEIR USE AS ANTIDANDRUFF AGENTS DNMT1, POLR1C, ETF1 TAS1R3 876/4885TAS1R1 921/4885NAMPT 2120/4885

“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.