SCHEMBL6540296

SCHEMBL6540296

CC1(C)CNc2ccc(-c3cccc([N+](=O)[O-])c3)cc21

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PGR P06401 11/20 0.62
TDP2 O95551 2/20 0.50
MAPT P10636 2/20 0.44
IDO1 P14902 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL201301 0.84 MAPT (0.54) TDP2MAPTTDP1NPC1RAB9A
SCHEMBL30227178 0.79 ALDH1A1 (0.45) PGRMAPTTDP1SMN1; SMN2NPC1
SCHEMBL3526223 0.77 PGR (1.00) PGRTDP2
SCHEMBL429310 0.75 MAPT (0.57) PGRTDP2MAPTTDP1NPC1
SCHEMBL6540904 0.75 PGR (0.61) PGRTDP2MAPTIDO1TDP1
SCHEMBL6541741 0.75 PGR (0.61) PGRTDP2MAPTIDO1TDP1
SCHEMBL6539077 0.75 PGR (0.61) PGRTDP2MAPTIDO1TDP1
SCHEMBL14311716 0.74 PGR (0.63) PGRTDP2MAPTIDO1LMNA
Hydrochloric Acid SCHEMBL4967505 0.74 MAPT (0.56) PGRTDP2MAPTTDP1NPC1
SCHEMBL3877014 0.74 PGR (0.76) PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1175397-B1 3,3-SUBSTITUTED INDOLINE DERIVATIVES WYETH CORP (US) 2004-08-18 EP claimed
US-6503939-B2 That are antagonists of the progesterone receptor, in a female contraceptive kit WYETH 2003-01-07 US claimed
JP-2002543157-A 2002-12-17 JP claimed
JP-2002543181-A 2002-12-17 JP claimed
US-6417214-B1 COMPOUNDS AS CONTRACEPTIVES WYETH 2002-07-09 US claimed
EP-1175397-A1 3,3-SUBSTITUTED INDOLINE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 2002-01-30 EP claimed
EP-1173211-A1 CONTRACEPTIVE COMPOSITIONS CONTAINING 3,3-SUBSTITUTED INDOLINE DERIVATIVES AND USES THEREOF American Home Products Corporation (US) 2002-01-23 EP claimed
US-6329416-B1 ADMINISTERING TO FEMALE OF CHILD BEARING AGE FOR 28 CONSECUTIVE DAYS: FIRST PHASE DOSAGE OF PROGESTATIONAL AGENT; SECOND PHASE OF ANTIPROGESIN COMPOUND, AND THIRD PHASE OF PLACEBO FOR CONTRACEPTION AMERICAN HOME PRODUCTS CORPORATION 2001-12-11 US claimed
WO-2000066554-A1 3,3-SUBSTITUTED INDOLINE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-09 WO claimed
WO-2000066166-A1 CONTRACEPTIVE COMPOSITIONS CONTAINING 3,3-SUBSTITUTED INDOLINE DERIVATIVES AND USES THEREOF AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-09 WO claimed
US-6835744-B2 For therapy of uterine myometrial fibroids, endometriosis, benign prostatic hypertrophy; carcinomas and adenocarcinomas of endometrium, ovary, breast, colon, prostate, pituitary, meningioma and other hormone-dependent tumors WYETH 2004-12-28 US disclosed
EP-1175397-B1 3,3-SUBSTITUTED INDOLINE DERIVATIVES WYETH CORP (US) 2004-08-18 EP disclosed
US-20030008909-A1 3,3-substituted indoline derivatives WYETH (US) 2003-01-09 US disclosed
US-6503939-B2 That are antagonists of the progesterone receptor, in a female contraceptive kit WYETH 2003-01-07 US disclosed
US-6417214-B1 COMPOUNDS AS CONTRACEPTIVES WYETH 2002-07-09 US disclosed
CN-1349500-A 3,3-substituted indoline derivatives AMERICAN HOME PROD (US) 2002-05-15 CN disclosed
US-20020035099-A1 Combination regimens using 3,3-substituted indoline derivatives AMERICAN HOME PRODUCTS CORPORATION 2002-03-21 US disclosed
EP-1173211-A1 CONTRACEPTIVE COMPOSITIONS CONTAINING 3,3-SUBSTITUTED INDOLINE DERIVATIVES AND USES THEREOF American Home Products Corporation (US) 2002-01-23 EP disclosed
US-6329416-B1 ADMINISTERING TO FEMALE OF CHILD BEARING AGE FOR 28 CONSECUTIVE DAYS: FIRST PHASE DOSAGE OF PROGESTATIONAL AGENT; SECOND PHASE OF ANTIPROGESIN COMPOUND, AND THIRD PHASE OF PLACEBO FOR CONTRACEPTION AMERICAN HOME PRODUCTS CORPORATION 2001-12-11 US disclosed
WO-2000066166-A1 CONTRACEPTIVE COMPOSITIONS CONTAINING 3,3-SUBSTITUTED INDOLINE DERIVATIVES AND USES THEREOF 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 (2 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-20030008909-A1 3,3-substituted indoline derivatives NR3C2, PGR, HTR3C PGR 2/4885TDP2 3467/4885MAPT 3400/4885
US-20020035099-A1 Combination regimens using 3,3-substituted indoline derivatives MC2R, PRLHR, MC5R PGR 6/4885TDP2 4675/4885MAPT 4624/4885

“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.