SCHEMBL6776882

SCHEMBL6776882

N#Cc1cccc(F)c1.OBO

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.52
▸ GABRG2 P18507 3/20 0.46
▸ GABRB3 P28472 3/20 0.46
▸ GABRA5 P31644 3/20 0.46
▸ GABRA3 P34903 3/20 0.46
▸ P4HB P07237 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ GSK3B P49841 2/20 0.41
▸ GRM5 P41594 1/20 0.40
▸ CLK4 Q9HAZ1 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40

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
Water SCHEMBL28049226 0.91 ENPP2 (0.54) ENPP2GABRG2GABRB3GABRA5GABRA3
SCHEMBL29444147 0.91 — —
SCHEMBL38165 0.91 — —
Hydrochloric Acid SCHEMBL29779892 0.89 ENPP2 (0.52) ENPP2GABRG2GABRB3GABRA5GABRA3
Hydrochloric Acid SCHEMBL31187288 0.89 ENPP2 (0.52) ENPP2GABRG2GABRB3GABRA5GABRA3
Boric Acid SCHEMBL29231593 0.88 ENPP2 (0.62) ENPP2GABRG2GABRB3GABRA5GABRA3
Formaldehyde SCHEMBL28227125 0.85 ENPP2 (0.48) ENPP2GABRG2GABRB3GABRA5GABRA3
SCHEMBL5786032 0.84 ENPP2 (0.56) ENPP2TSHRGSK3BCLK4ALDH1A1
Bicarbonate SCHEMBL28730360 0.84 ENPP2 (0.48) ENPP2GABRG2GABRB3GABRA5GABRA3
Carbamic Acid SCHEMBL11786806 0.82 PARP1 (0.48) ENPP2GABRG2GABRB3GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115975224-A PH/ROS dual-response tissue adhesion drug-loaded hydrogel and preparation method and application thereof 四川大学 2023-04-18 — — CN disclosed
US-6693103-B2 CONTRACEPTION, TREATMENT OF FIBROIDS, ANTICARCINOGENIC AND -TUMOR AGENTS (ENDOMETRIOSIS, BREAST, UTERINE, OVARIAN AND PROSTATE CANCER), AND POST MENOPAUSAL HORMONE REPLACEMENT THERAPY; BENIGN PROSTATIC HYPERTROPHY; ADENOCARCINOMAS WYETH 2004-02-17 — — US disclosed
US-6498154-B1 CONTRACEPTION; PROGESTATIONAL ACTIVE LEVONORGESTREL AND AN ANTIPROGESTIN COMPOUND WYETH 2002-12-24 — — US disclosed
US-20020094983-A1 Quinazolinone and benzoxazine derivatives as progesterone receptor modulators LIGAND PHARMACEUTICALS INCORPORATED 2002-07-18 — — US disclosed
US-6358948-B1 ANTICARCINOGENIC AND ANTITUMOR AGENTS AGAINST BREAST, PITUITARY, OVARIAN, ENDOMETRIUM, AND PROSTATE CANCER; BENIGN PROSTATIC HYPERPLASIA; CONTRACEPTIVES AMERICAN HOME PRODUCTS CORPORATION 2002-03-19 — — 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 (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-20020094983-A1 Quinazolinone and benzoxazine derivatives as progesterone receptor modulators PGR, NR3C1, NR3C2 ENPP2 3048/4885GABRG2 213/4885GABRB3 152/4885

“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.

Send feedback