SCHEMBL6151379

SCHEMBL6151379

O=[N+]([O-])c1cc(N(CCO)CCO)ccc1F

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.63
TDP1 Q9NUW8 3/20 0.63
TSHR P16473 1/20 0.63
HIF1A Q16665 1/20 0.50
VCAM1 P19320 2/20 0.47
KDM4E B2RXH2 1/20 0.44
LMNA P02545 8/20 0.42
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MAPT P10636 3/20 0.42
POLB P06746 2/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
MMP14 P50281 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 2/20 0.41
CA1 P00915 1/20 0.41
MMP2 P08253 1/20 0.41

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
SCHEMBL8643866 0.91 ALDH1A1 (0.53) ALDH1A1TDP1TSHRHIF1AVCAM1
SCHEMBL15326941 0.89 ALDH1A1 (0.53) ALDH1A1TDP1TSHRHIF1AVCAM1
SCHEMBL16590368 0.89 ALDH1A1 (0.53) ALDH1A1TDP1TSHRHIF1AVCAM1
SCHEMBL7900446 0.87 ALDH1A1 (0.59) ALDH1A1TDP1TSHRHIF1AVCAM1
SCHEMBL8318666 0.84 ALDH1A1 (0.63) ALDH1A1TDP1TSHRVCAM1KDM4E
SCHEMBL29390088 0.83 TDP1 (0.62) ALDH1A1TDP1TSHRVCAM1KDM4E
SCHEMBL27752508 0.83 ALDH1A1 (0.62) ALDH1A1TDP1TSHRVCAM1KDM4E
SCHEMBL14174537 0.83 ALDH1A1 (0.62) ALDH1A1TDP1TSHRKDM4ELMNA
SCHEMBL127252 0.83 TDP1 (0.62) ALDH1A1TDP1TSHRVCAM1KDM4E
SCHEMBL27758417 0.82 ALDH1A1 (0.58) ALDH1A1TDP1TSHRVCAM1KDM4E

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5414128-A Dehydrofluorination for amination CASSELLA AG (DE) 1995-05-09 US claimed
EP-2809657-B1 NOVEL THERAPEUTIC AGENTS EURO CELTIQUE SA (LU) 2017-09-06 EP disclosed
EP-2834215-B1 PROCESS FOR MAKING BENDAMUSTINE SYNTHON BV (NL) 2017-04-26 EP disclosed
EP-2834215-B1 PROCESS FOR MAKING BENDAMUSTINE SYNTHON BV (NL) 2017-04-26 EP disclosed
US-20150086551-A1 Novel Therapeutic Agents CRYSTAL BIOPHARMACEUTICAL LLC 2015-03-26 US disclosed
US-20150086551-A1 Novel Therapeutic Agents CRYSTAL BIOPHARMACEUTICAL LLC 2015-03-26 US disclosed
EP-2834215-A1 PROCESS FOR MAKING BENDAMUSTINE Synthon BV (NL) 2015-02-11 EP disclosed
WO-2013150020-A1 PROCESS FOR MAKING BENDAMUSTINE SYNTHON BV (NL) 2013-10-10 WO disclosed
WO-2013150020-A1 PROCESS FOR MAKING BENDAMUSTINE SYNTHON BV (NL) 2013-10-10 WO disclosed
WO-2013113838-A1 NOVEL THERAPEUTIC AGENTS EURO-CELTIQUE (LU) 2013-08-08 WO disclosed
EP-0280187-B1 HAIR DYEING COMPOSITIONS WITH DIRECT-DYEING NITRO-DIPHENYL AMINE DERIVATIVES Henkel Kommanditgesellschaft auf Aktien (DE) 1992-01-02 EP disclosed
US-5041143-A N,N'-disubstituted nitro-para-phenylenediamines, and dyeing compositions containing the same L'OREAL (FR) 1991-08-20 US disclosed
US-4981486-A Washfast, lightfast; for bleached or permed hair L'OREAL (FR) 1991-01-01 US disclosed
US-4981486-A Washfast, lightfast; for bleached or permed hair L'OREAL (FR) 1991-01-01 US disclosed
US-4910341-A Reacting chloroethyl chloroformate with 4-halo-3-nitroaniline in presence of a base; cyclization; alkaline hydrolysis L'OREAL (FR) 1990-03-20 US disclosed
US-4859206-A Hair dye preparations containing nitrodiphenylamine derivative HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1989-08-22 US disclosed
EP-0280187-A1 Hair dyeing compositions with direct-dyeing nitro-diphenyl amine derivatives Henkel Kommanditgesellschaft auf Aktien (DE) 1988-08-31 EP disclosed
US-4690685-A HAIR DYES L'OREAL (FR) 1987-09-01 US disclosed
US-RE30798-E BY REACTING 4-FLUORO-3-NITROANILINES WITH AMMONIA OR A PRIMARY OR SECONDARY AMINE CLAIROL INCORPORATED (US) 1981-11-17 US disclosed
US-3944612-A HAIR DYE INTERMEDIATES CLAIROL INCORPORATED (US) 1976-03-16 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-20150086551-A1 Novel Therapeutic Agents HDAC1, HDAC11, HDAC5 ALDH1A1 779/4885TDP1 614/4885TSHR 3522/4885

“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.