SCHEMBL888409

SCHEMBL888409

CC(C)(C)c1cc(I)c(O)c(CN)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 4/20 0.46
CHEK1 O14757 1/20 0.42
DAPK3 O43293 1/20 0.42
RET P07949 1/20 0.42
PDGFRB P09619 1/20 0.42
PIM1 P11309 1/20 0.42
PDGFRA P16234 1/20 0.42
KDR P35968 1/20 0.42
MAPK8 P45983 1/20 0.42
RPS6KA3 P51812 1/20 0.42
LIMK1 P53667 1/20 0.42
TYRO3 Q06418 1/20 0.42
MAPK14 Q16539 1/20 0.42
LRRK2 Q5S007 1/20 0.42
AURKB Q96GD4 1/20 0.42
CYP2D6 P10635 5/20 0.40
CYP1A2 P05177 3/20 0.40
CYP2C9 P11712 3/20 0.40
HIF1A Q16665 1/20 0.40
GABRA1 P14867 1/20 0.39

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
Bromide SCHEMBL11681378 0.98 CYP2C19 (0.44) CYP2C19CHEK1DAPK3RETPDGFRB
Hydrochloric Acid SCHEMBL4107889 0.98 CYP2C19 (0.44) CYP2C19CHEK1DAPK3RETPDGFRB
Sulfuric Acid SCHEMBL11682511 0.92 CYP2C19 (0.40) CYP2C19CHEK1DAPK3RETPDGFRB
Phosphoric Acid SCHEMBL11680419 0.92 CYP2C19 (0.40) CYP2C19CHEK1DAPK3RETPDGFRB
SCHEMBL11681060 0.91 CYP2C19 (0.39) CYP2C19CHEK1DAPK3RETPDGFRB
SCHEMBL11677802 0.84 CHEK1 (0.39) CYP2C19CHEK1DAPK3RETPDGFRB
SCHEMBL6330116 0.84 CYP2C19 (0.35) CYP2C19CHEK1DAPK3RETPDGFRB
Water SCHEMBL11678953 0.83 CYP2C19 (0.34) CYP2C19CHEK1DAPK3RETPDGFRB
Hydrochloric Acid SCHEMBL11679134 0.83 CHEK1 (0.38) CYP2C19CHEK1DAPK3RETPDGFRB
SCHEMBL7930120 0.82 CHEK1 (0.56) CYP2C19CHEK1DAPK3RETPDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054390-A1 Use of haptoglobin genotyping in diagnosis and treatment of intraplaque hemorrhage resulting from plaque rupture LEVY ANDREW 2009-02-26 US claimed
WO-2008153908-A1 USE OF HAPTOGLOBIN GENOTYPING IN DIAGNOSIS AND TREATMENT OF INTRAPLAQUE HEMORRHAGE RAPPAPORT FAMILY INSTITUTE FOR RESEARCH IN THE MEDICAL SCIENCES (IL) 2008-12-18 WO claimed
US-20080234380-A1 Compositions and method for treatment of chronic inflammatory diseases SHAPIRO HOWARD K 2008-09-25 US claimed
US-20050090553-A1 Compositions and method for treatment of chronic inflammatory diseases SECANT PHARMA, LLC 2005-04-28 US claimed
EP-0786994-B1 USE OF CHLORIDE CHANNEL BLOCKERS FOR REDUCING INTRAOCULAR PRESSURE ALLERGAN INC (US) 2004-11-03 EP claimed
US-6444221-B1 ADMINISTERING AMINOBENZOIC ACID SECANT PHARMA, LLC 2002-09-03 US claimed
EP-0707446-A4 PHARMACEUTICAL COMPOSITIONS AND USE THEREOF FOR TREATMENT OF NEUROLOGICAL DISEASES AND ETIOLOGICALLY RELATED SYMPTOMOLOGY SHAPIRO HOWARD K (US) 2001-01-10 EP claimed
EP-0759750-A4 COMPOSITIONS FOR TREATMENT OF CHRONIC INFLAMMATORY DISEASES SHAPIRO HOWARD K (US) 1998-05-27 EP claimed
US-5705530-A SIDE EFFECT REDUCTION; GLAUCOMA TREATMENT ALLERGAN (US) 1998-01-06 US claimed
EP-0759750-A1 COMPOSITIONS FOR TREATMENT OF CHRONIC INFLAMMATORY DISEASES SHAPIRO, Howard, K. (US) 1997-03-05 EP claimed
JP-H08512055-A 1996-12-17 JP claimed
EP-0707446-A1 PHARMACEUTICAL COMPOSITIONS AND USE THEREOF FOR TREATMENT OF NEUROLOGICAL DISEASES AND ETIOLOGICALLY RELATED SYMPTOMOLOGY SHAPIRO, Howard, K. (US) 1996-04-24 EP claimed
WO-1995031194-A1 COMPOSITIONS FOR TREATMENT OF CHRONIC INFLAMMATORY DISEASES SHAPIRO HOWARD K (US) 1995-11-23 WO claimed
WO-1995001096-A1 PHARMACEUTICAL COMPOSITIONS AND USE THEREOF FOR TREATMENT OF NEUROLOGICAL DISEASES AND ETIOLOGICALLY RELATED SYMPTOMOLOGY SHAPIRO HOWARD K (US) 1995-01-12 WO claimed
US-4029816-A ANTIHYPERTENSIVE, DIURETIC, SALURETIC MERCK & CO., INC. (US) 1977-06-14 US claimed
WO-2013119825-A1 MODULATORS OF TOUSLED KINASE IN CELLULAR PROCESSES DE BENEDETTI ARRIGO (US) 2013-08-15 WO disclosed
US-8178516-B2 Composition of 4-guanidinobenzoic acid HCl, a co-agent suitable for systemic administration solely via the oral route, antioxidants, vitamins, metabolites Sylvan Labs, LLC (US) 2012-05-15 US disclosed
US-4070464-A DISPIROBENZOXAZINES MERCK & CO., INC. (US) 1978-01-24 US disclosed
US-4067980-A Spirobenzoxazinium salts, method of use and compositions thereof as antihypertensive agents MERCK & CO., INC. (US) 1978-01-10 US disclosed
US-4029816-A ANTIHYPERTENSIVE, DIURETIC, SALURETIC MERCK & CO., INC. (US) 1977-06-14 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 (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-20090054390-A1 Use of haptoglobin genotyping in diagnosis and treatment of intraplaque hemorrhage resulting from plaque rupture APOB, PPHLN1, SERPINC1 CYP2C19 2150/4885CHEK1 4609/4885DAPK3 1557/4885
US-20050090553-A1 Compositions and method for treatment of chronic inflammatory diseases PCCA, HMGB1, PTGES CYP2C19 611/4885CHEK1 2021/4885DAPK3 3957/4885
US-20080234380-A1 Compositions and method for treatment of chronic inflammatory diseases HMGB1, PCCA, QSOX1 CYP2C19 712/4885CHEK1 1948/4885DAPK3 4152/4885

“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.