SCHEMBL980588

SCHEMBL980588

CC(=O)N1CCc2ccc(I)cc21

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 9/20 0.67
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
LMNA P02545 2/20 0.49
PKM P14618 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 2/20 0.46
HPGD P15428 1/20 0.46
HSD17B3 P37058 1/20 0.46
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
CYP11B2 P19099 2/20 0.44

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
SCHEMBL24011072 0.90 NOTUM (0.62) NOTUMALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL4514374 0.87 NOTUM (0.69) NOTUMALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL15690050 0.85 NOTUM (0.47) NOTUMALDH1A1SMN1; SMN2LMNAPKM
SCHEMBL429841 0.81 NOTUM (0.76) NOTUMALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL8141492 0.81 NOTUM (0.69) NOTUMALDH1A1SMN1; SMN2LMNAPKM
SCHEMBL8134991 0.80 TSHR (0.51) NOTUMALDH1A1SMN1; SMN2KMT2AMAPT
SCHEMBL1044559 0.80 NOTUM (0.67) NOTUMALDH1A1SMN1; SMN2LMNAPKM
SCHEMBL399536 0.80 NOTUM (0.67) NOTUMALDH1A1SMN1; SMN2LMNAPKM
SCHEMBL5793078 0.80 NOTUM (1.00) NOTUMALDH1A1SMN1; SMN2LMNAPKM
SCHEMBL5794728 0.80 NOTUM (0.77) NOTUMALDH1A1SMN1; SMN2LMNACYP11B2

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-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 US disclosed
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 US disclosed
US-7973069-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-07-05 US disclosed
US-7973069-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-07-05 US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 US disclosed
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed
EP-1771169-A1 METHODS FOR TREATING HEPATITIS C PTC Therapeutics, Inc. (US) 2007-04-11 EP disclosed
US-20060223863-A1 Methods for treating Hepatitis C KARP GARY M 2006-10-05 US disclosed
US-20060189606-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2006-08-24 US disclosed
WO-2006019831-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2006-02-23 WO disclosed
US-5736534-A HYPERPROLIFERATIVE DISEASES; INHIBITORS OF PROTEIN-TYROSINE KINASES SUCH AS EPIDERMAL GROWTH FACTOR RECEPTOR; BRAIN, LUNG, BREAST CANCER; PSORIASIS AND BENIGN PROSTATE HYPERPLASIA PFIZER INC. (US) 1998-04-07 US disclosed
EP-0757687-A1 TRICYCLIC DERIVATIVES AS 5HT 2C? AND 5HT 2B? ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-02-12 EP disclosed
EP-0746554-A1 4-HETEROCYCLYL-SUBSTITUTED QUINAZOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS ANTI-CANCER AGENTS PFIZER INC. (US) 1996-12-11 EP disclosed
WO-1995029177-A1 TRICYCLIC DERIVATIVES AS 5HT2C AND 5HT2B ANTAGONISTS SMITHKLINE BEECHAM P.L.C. (GB) 1995-11-02 WO disclosed
WO-1995023141-A1 4-HETEROCYCLYL-SUBSTITUTED QUINAZOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS ANTI-CANCER AGENTS PFIZER INC. (US) 1995-08-31 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 (4 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-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS NOTUM 833/4885ALDH1A1 563/4885SMN1; SMN2 4206/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS NOTUM 478/4885ALDH1A1 591/4885SMN1; SMN2 4525/4885
US-20060189606-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS NOTUM 3153/4885ALDH1A1 1497/4885SMN1; SMN2 3609/4885
US-20060223863-A1 Methods for treating Hepatitis C OAT, HAVCR2, HCCS NOTUM 478/4885ALDH1A1 591/4885SMN1; SMN2 4525/4885

“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.