SCHEMBL5674133

SCHEMBL5674133

O=C(Cl)c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.52
VCAM1 P19320 3/20 0.52
ALDH1A1 P00352 3/20 0.50
TSHR P16473 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
CYP3A4 P08684 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
HIF1A Q16665 1/20 0.50
TXNRD1 Q16881 1/20 0.50
TXNRD3 Q86VQ6 1/20 0.50
TXNRD2 Q9NNW7 1/20 0.50
CASP6 P55212 1/20 0.46
TTR P02766 1/20 0.45
PARP1 P09874 1/20 0.44
LMNA P02545 1/20 0.42

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
SCHEMBL28155919 0.87 TSHR (0.47) GPR35VCAM1ALDH1A1TSHRTDP1
SCHEMBL4324556 0.85 VCAM1 (0.63) GPR35VCAM1ALDH1A1TSHRTDP1
SCHEMBL3329098 0.83 GPR35 (0.48) GPR35VCAM1ALDH1A1TSHRCASP6
SCHEMBL3146159 0.83 CASP6 (0.60) GPR35VCAM1ALDH1A1TSHRTDP1
SCHEMBL4893026 0.83 GPR35 (0.69) GPR35VCAM1ALDH1A1TSHRTDP1
SCHEMBL6570802 0.83 CYP3A4 (0.59) GPR35VCAM1ALDH1A1TSHRTDP1
SCHEMBL15275446 0.82 LMNA (0.49) GPR35VCAM1ALDH1A1TSHRCYP3A4
SCHEMBL11389414 0.82 VCAM1 (0.50) GPR35VCAM1ALDH1A1TSHRTDP1
Hydrochloric Acid SCHEMBL10571715 0.82 CASP6 (0.58) GPR35VCAM1ALDH1A1TSHRTDP1
SCHEMBL31124783 0.82 TSHR (0.49) GPR35VCAM1ALDH1A1TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060052421-A1 Conjugation agent EASTMAN KODAK COMPANY 2006-03-09 US disclosed
US-4855410-A Process for the preparation of fibre-reactive azo compounds containing a phenylenediamine diazo component CIBA-GEIGY CORPORATION (US) 1989-08-08 US disclosed
US-4568350-A Cold pad-batch process for dyeing silk or silk-containing fiber blends with reactive dyes CIBA-GEIGY CORPORATION (US) 1986-02-04 US disclosed
US-4560388-A WITH SULFO GROUP CONTAINING FIBER REACTIVE DYE CIBA-GEIGY CORPORATION (US) 1985-12-24 US disclosed
US-4394310-A DIAZOTIZATION, CYCLIZATION HOECHST AKTIENGESELLSCHAFT (DE) 1983-07-19 US disclosed
US-4330469-A Reactive dyes, processes for their manufacture and their use CIBA-GEIGY CORPORATION (US) 1982-05-18 US disclosed
US-4281151-A ANTIALLERGENS, ANTIANAPHYLACTIC AGENTS THE UPJOHN COMPANY (US) 1981-07-28 US disclosed
US-4248961-A YELLOW COUPLER ACHIEVING GOOD COLOR DENSITY CIBA-GEIGY AG (CH) 1981-02-03 US disclosed
US-4186127-A ANTIALLERGENS THE UPJOHN COMPANY (US) 1980-01-29 US disclosed
US-4159278-A PROPHYAXIS, ANTIALLERGENS, SENSITIZATION THE UPJOHN COMPANY (US) 1979-06-26 US disclosed
US-4095028-A PROPHYLAXIS, ALLERGIES THE UPJOHN COMPANY (US) 1978-06-13 US disclosed
US-4089973-A Cyano phenylene dioxamic acid compounds used in the treatment of allergy THE UPJOHN COMPANY (US) 1978-05-16 US disclosed
US-3993679-A ANTIALLERGY THE UPJOHN COMPANY (US) 1976-11-23 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-20060052421-A1 Conjugation agent STS, TST, SULT1A1 GPR35 2971/4885VCAM1 3307/4885ALDH1A1 671/4885

“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.