SCHEMBL7004036

SCHEMBL7004036

O=C1C2=C(c3ccccc3)N(CCCCBr)C(=O)C2=C(c2ccccc2)N1CCCCBr

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.42
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
FAAH O00519 1/20 0.37
MGLL Q99685 1/20 0.37
BCHE P06276 2/20 0.36
GSK3A P49840 2/20 0.36
GSK3B P49841 2/20 0.36
CES1 P23141 1/20 0.36
NR1H2 P55055 2/20 0.36
NR1H3 Q13133 2/20 0.36
RAB9A P51151 2/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ACHE P22303 2/20 0.35

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
SCHEMBL22432734 0.83 TSHR (0.36) TDP1TSHRKMT2ANR1H2NR1H3
SCHEMBL9836829 0.81 NPC1 (0.49) LCKTDP1L3MBTL1MEN1TSHR
SCHEMBL7003112 0.80 ALDH1A1 (0.35) L3MBTL1LMNAMEN1TSHRKMT2A
SCHEMBL7004266 0.80 TERT (0.46) MEN1KMT2ACYP1A2CYP2C19
SCHEMBL5310824 0.76 TDP1 (0.34) LCKTDP1L3MBTL1TSHRFAAH
SCHEMBL28486147 0.75 FFAR1 (0.32) TDP1L3MBTL1LMNAMEN1TSHR
SCHEMBL29644739 0.74 LCK (0.57) LCKTDP1L3MBTL1LMNAMEN1
SCHEMBL22418729 0.74 FFAR1 (0.34) TDP1L3MBTL1LMNAMEN1TSHR
SCHEMBL21867404 0.73 NR1H2 (0.35) LCKTDP1L3MBTL1CES1NR1H2
SCHEMBL14757433 0.73 CDC25A (0.43) CES1RAB9AMAPTSMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1185531-B1 CATIONIC PYRROLO-PYRROL-DERIVATIVES, METHOD FOR PRODUCING THEM AND COLORANTS FOR KERATIN FIBRES, CONTAINING THESE COMPOUNDS WELLA AG (DE) 2003-10-29 EP disclosed
US-6570019-B2 Hair dyes; uniformity, stability WELLA AG (DE) 2003-05-27 US disclosed
US-20030055268-A1 Cationic pyrrolo-pyrrol-derivatives, method for producing them and colorants for keratin fibres, containing these compounds WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2003-03-20 US disclosed
EP-1185531-A1 CATIONIC PYRROLO-PYRROL-DERIVATIVES, METHOD FOR PRODUCING THEM AND COLORANTS FOR KERATIN FIBRES, CONTAINING THESE COMPOUNDS Wella Aktiengesellschaft (DE) 2002-03-13 EP disclosed
WO-2001062759-A1 CATIONIC PYRROLO-PYRROL-DERIVATIVES, METHOD FOR PRODUCING THEM AND COLORANTS FOR KERATIN FIBRES, CONTAINING THESE COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2001-08-30 WO 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-20030055268-A1 Cationic pyrrolo-pyrrol-derivatives, method for producing them and colorants for keratin fibres, containing these compounds KRT18, IK, PYCR1 LCK 918/4885TDP1 1267/4885L3MBTL1 3876/4885

“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.