SCHEMBL6665397

SCHEMBL6665397

c1ccc(/N=N/Nc2ccc3ccccc3c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 3/20 0.62
CYP1A1 P04798 2/20 0.62
TSHR P16473 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
MEN1 O00255 7/20 0.50
KMT2A Q03164 7/20 0.50
ALDH1A1 P00352 7/20 0.50
RAB9A P51151 6/20 0.50
NPC1 O15118 5/20 0.50
CYP3A4 P08684 2/20 0.50
HSD17B10 Q99714 2/20 0.50
HPGD P15428 2/20 0.50
CASP3 P42574 2/20 0.49
SENP8 Q96LD8 2/20 0.49
SENP7 Q9BQF6 2/20 0.49
SENP6 Q9GZR1 2/20 0.49
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL6665400 1.00 CYP1B1 (0.62) CYP1B1CYP1A1TSHRTDP1MEN1
SCHEMBL22062131 0.89 MEN1 (0.50) CYP1B1CYP1A1TSHRTDP1MEN1
SCHEMBL4751885 0.86 NPC1 (0.49) CYP1B1CYP1A1TSHRTDP1MEN1
Benzene SCHEMBL28456075 0.78 CYP1B1 (1.00) CYP1B1CYP1A1TSHRTDP1MEN1
SCHEMBL310944 0.78 CYP1B1 (1.00) CYP1B1CYP1A1TSHRTDP1MEN1
SCHEMBL310943 0.78 CYP1B1 (1.00) CYP1B1CYP1A1TSHRTDP1MEN1
SCHEMBL3079057 0.78 CYP1B1 (1.00) CYP1B1CYP1A1TSHRTDP1MEN1
SCHEMBL11065097 0.78 CYP1B1 (1.00) CYP1B1CYP1A1TSHRTDP1MEN1
SCHEMBL4751886 0.76 ALDH1A1 (0.41) TSHRTDP1MEN1KMT2AALDH1A1
SCHEMBL7770381 0.76 ALDH1A1 (0.41) TSHRTDP1MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11793777-B2 Methods and compositions for treating conditions associated with an abnormal inflammatory response FIRST WAVE BIO, INC. (US) 2023-10-24 US disclosed
EP-4045480-A1 PHARMACEUTICAL FORMULATIONS First Wave Bio, Inc. (US) 2022-08-24 EP disclosed
US-20210401784-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH AN ABNORMAL INFLAMMATORY RESPONSE FIRST WAVE BIO, INC. 2021-12-30 US disclosed
WO-2021076922-A1 PHARMACEUTICAL FORMULATIONS FIRST WAVE BIO, INC. (US) 2021-04-22 WO disclosed
US-10849867-B2 Methods and compositions for treating conditions associated with an abnormal inflammatory response FIRST WAVE BIO, INC. (US) 2020-12-01 US disclosed
EP-3344274-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH AN ABNORMAL INFLAMMATORY RESPONSES First Wave Bio, Inc. (US) 2018-07-11 EP disclosed
WO-2017040864-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH AN ABNORMAL INFLAMMATORY RESPONSES First Wave Biopharma (US) 2017-03-09 WO disclosed
EP-1472319-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2004-11-03 EP disclosed
WO-2004065305-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON MANGANESE UNIVERSITY OF DAYTON (US) 2004-08-05 WO disclosed
WO-2004009869-A2 CORROSION-INHIBITING COATING FOR METAL SURFACES UNIVERSITY OF DAYTON (US) 2004-01-29 WO disclosed
WO-2003060192-A1 NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060019-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
EP-1121500-A1 METHOD AND APPARATUS FOR HELPING TO ASSURE THE WASHING OF HANDS Lynn, John M. (US) 2001-08-08 EP disclosed
WO-2000022260-A1 METHOD AND APPARATUS FOR HELPING TO ASSURE THE WASHING OF HANDS LYNN JOHN M (US) 2000-04-20 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 (3 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-20210401784-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH AN ABNORMAL INFLAMMATORY RESPONSE FH, CS, ECHS1 CYP1B1 2445/4885CYP1A1 1913/4885TSHR 4850/4885
US-10849867-B2 Methods and compositions for treating conditions associated with an abnormal inflammatory response FH, CS, ECHS1 CYP1B1 2445/4885CYP1A1 1913/4885TSHR 4850/4885
US-11793777-B2 Methods and compositions for treating conditions associated with an abnormal inflammatory response FH, CS, ECHS1 CYP1B1 2445/4885CYP1A1 1913/4885TSHR 4850/4885

“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.