SCHEMBL6539880

SCHEMBL6539880

CCC1(CC)c2cc(-c3cccc([N+](=O)[O-])c3)ccc2NC1C

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PGR P06401 11/20 0.56
MAPT P10636 4/20 0.44
TDP2 O95551 2/20 0.43
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
GAA P10253 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
IDO1 P14902 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL7179210 0.94 PGR (0.51) PGRMAPTTDP2ALDH1A1NPC1
SCHEMBL6539077 0.85 PGR (0.61) PGRMAPTTDP2SMN1; SMN2MMP2
SCHEMBL6541741 0.85 PGR (0.61) PGRMAPTTDP2SMN1; SMN2MMP2
SCHEMBL6540904 0.85 PGR (0.61) PGRMAPTTDP2SMN1; SMN2MMP2
Hydrochloric Acid SCHEMBL6539451 0.84 PGR (0.60) PGRMAPTTDP2SMN1; SMN2MMP2
SCHEMBL7190173 0.79 PGR (0.54) PGRTDP2ALDH1A1
SCHEMBL27454225 0.75 PGR (0.63) PGRMAPTTDP2ALDH1A1NPC1
SCHEMBL3874035 0.73 PGR (0.78) PGRTDP2MMP2MMP9MMP8
SCHEMBL6540131 0.72 PGR (0.58) PGRMAPTTDP2IDO1
SCHEMBL3871911 0.72 PGR (1.00) 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 18 patents. 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-6417214-B1 COMPOUNDS AS CONTRACEPTIVES WYETH 2002-07-09 US disclosed
EP-1175397-A1 3,3-SUBSTITUTED INDOLINE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 2002-01-30 EP 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
WO-2000066554-A1 3,3-SUBSTITUTED INDOLINE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-09 WO 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 (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-20030008909-A1 3,3-substituted indoline derivatives NR3C2, PGR, HTR3C PGR 2/4885MAPT 3400/4885TDP2 3467/4885

“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.