SCHEMBL3524669

SCHEMBL3524669

CC1(C2C(=O)Nc3ccc(Br)cc32)CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.43
MAPT P10636 4/20 0.43
POLB P06746 2/20 0.43
NQO2 P16083 1/20 0.42
LMNA P02545 3/20 0.40
LRRK2 Q5S007 1/20 0.37
BRD4 O60885 1/20 0.36
ALDH1A1 P00352 2/20 0.36
USP2 O75604 1/20 0.36
KMT2A Q03164 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL3517895 0.79 IDO1 (0.41) MAPTALDH1A1
SCHEMBL3520210 0.76 PGR (0.62)
SCHEMBL3519770 0.72 PGR (0.53) TP53MAPTPOLBNQO2LMNA
SCHEMBL29891547 0.72 PGR (0.53) TP53MAPTPOLBNQO2LMNA
SCHEMBL6069995 0.70 NOS3 (0.45) TP53MAPTPOLBNQO2LMNA
SCHEMBL25682397 0.70 TP53 (0.49) TP53MAPTPOLBNQO2LMNA
SCHEMBL14438188 0.68 NQO2 (0.50) TP53MAPTPOLBNQO2LMNA
SCHEMBL2989569 0.68 TP53 (0.62) TP53MAPTPOLBNQO2LMNA
SCHEMBL31694121 0.68 TP53 (0.48) TP53MAPTPOLBNQO2LMNA
SCHEMBL28327834 0.67 NQO2 (0.46) TP53MAPTPOLBNQO2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645761-B2 Indoline derivatives WYETH (US) 2010-01-12 US disclosed
US-20070259944-A1 Indoline derivatives WYETH (US) 2007-11-08 US disclosed
US-7253203-B2 Indoline derivatives WYETH (US) 2007-08-07 US disclosed
EP-1175398-B1 INDOLINE DERIVATIVES AS PROGESTERONE ANTAGONISTS WYETH CORP (US) 2007-07-11 EP disclosed
US-7084168-B2 Indoline derivatives WYETH (US) 2006-08-01 US disclosed
US-20060160882-A1 Indoline derivatives WYETH (US) 2006-07-20 US disclosed
US-20030220388-A1 Amides such as 5-(3-Nitrophenyl)-1,3-dihydro-indol-2-one, used as antiprogesterones, contraceptives, for hormone replacement therapy during menopause and as anticarcinogenic agents WYETH 2003-11-27 US disclosed
US-6608068-B2 Substituted indoline derivative compounds which are antagonists of the progesterone receptor; contraceptives; antineoplastic agents WYETH 2003-08-19 US disclosed
US-6544970-B2 Administering in a first phase of a progestational agent (levonorgestrel or ethinylestradiol) and in a second phase an antiprogestin that is an indolinone derivative, especially a 3-spiroalkylene derivative WYETH 2003-04-08 US disclosed
US-20030050288-A1 Cyclic regimens utilizing indoline derivatives WYETH 2003-03-13 US disclosed
US-6462032-B1 Cyclic regimens utilizing indoline derivatives WYETH 2002-10-08 US disclosed
US-20020086874-A1 Indoline derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 2002-07-04 US disclosed
US-6391907-B1 ANTICANCER AGENTS; CONTRACEPTIVES AMERICAN HOME PRODUCTS CORPORATION 2002-05-21 US disclosed
EP-1175398-A1 INDOLINE DERIVATIVES AS PROGESTERONE ANTAGONISTS American Home Products Corporation (US) 2002-01-30 EP disclosed
WO-2000066556-A1 INDOLINE DERIVATIVES AS PROGESTERONE ANTAGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-09 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 (5 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-20070259944-A1 Indoline derivatives PGR, GNRHR, PRLHR TP53 273/4885MAPT 2501/4885POLB 4140/4885
US-20020086874-A1 Indoline derivatives PGR, GNRHR, PRLHR TP53 263/4885MAPT 2508/4885POLB 4042/4885
US-20060160882-A1 Indoline derivatives PGR, GNRHR, PRLHR TP53 273/4885MAPT 2501/4885POLB 4140/4885
US-20030220388-A1 Amides such as 5-(3-Nitrophenyl)-1,3-dihydro-indol-2-one, used as antiprogesterones, contraceptives, for hormone replacement therapy during menopause and as anticarcinogenic agents PGR, CYP19A1, PGRMC1 TP53 342/4885MAPT 3746/4885POLB 3154/4885
US-20030050288-A1 Cyclic regimens utilizing indoline derivatives PRLHR, GNRHR, BRCA1 TP53 431/4885MAPT 4533/4885POLB 3515/4885

“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.