SCHEMBL940822

SCHEMBL940822

Nc1c(Cl)cc(Cc2cc(Cl)c(N)c(Cl)c2)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
CYP3A4 P08684 4/20 0.55
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
GAA P10253 2/20 0.38
PNMT P11086 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
TSHR P16473 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
IDO1 P14902 3/20 0.34
POLB P06746 2/20 0.34
LMNA P02545 2/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
HTR1A P08908 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
OPRK1 P41145 1/20 0.34

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
SCHEMBL11482589 0.84 CYP3A4 (0.83) ALDH1A1CYP3A4CA1CA2CA9
SCHEMBL7642936 0.83 CYP3A4 (0.45) ALDH1A1CYP3A4GAATSHRTDP1
SCHEMBL8780503 0.83 CA1 (0.48) ALDH1A1CYP3A4CA1CA2CA9
SCHEMBL30806137 0.83 CYP3A4 (0.45) ALDH1A1CYP3A4GAATSHRTDP1
SCHEMBL3191004 0.80 CYP3A4 (0.52) ALDH1A1CYP3A4CA1CA2CA9
SCHEMBL3005448 0.80 CYP3A4 (0.52) ALDH1A1CYP3A4CA1CA2CA9
SCHEMBL818115 0.79 CYP3A4 (0.42) ALDH1A1CYP3A4CA1CA2CA9
SCHEMBL30806157 0.79 CYP3A4 (0.42) ALDH1A1CYP3A4CA1CA2CA9
SCHEMBL1964510 0.78 ALDH1A1 (0.50) ALDH1A1CYP3A4CA1CA2CA9
SCHEMBL10618918 0.78 ALDH1A1 (0.50) ALDH1A1CYP3A4CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5106943-A Molding materials; blend of trimer of polyisocyanate, epoxy compounds, and aromatic polyamine TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-04-21 US claimed
EP-0421393-A2 Resin, compositions, shaped articles, and methods for manufacture Takeda Chemical Industries, Ltd. (JP) 1991-04-10 EP claimed
US-4002584-A LONG CHAIN POLYOL, HALOGENATED AROMATIC DIAMINE, ONE-SHOT REACTION IHARA CHEMICAL KOGYO KABUSHIKI KAISHA (JA) 1977-01-11 US claimed
JP-61264023-A None JP disclosed
JP-1149835-A None JP disclosed
US-20230111073-A1 METHOD OF PREPARING A THIN FILM COMPOSITE LAYER AQUAPORIN A/S (DK) 2023-04-13 US disclosed
US-20230087170-A1 METHOD OF PREPARING A THIN FILM COMPOSITE LAYER AQUAPORIN A/S (DK) 2023-03-23 US disclosed
US-11421106-B2 Vesicle incorporating transmembrane protein AQUAPORIN A/S (DK) 2022-08-23 US disclosed
CN-110430937-B Diblock copolymer vesicles and separation membranes comprising aquaporin water channels and methods of making and using the same 水通道蛋白有限公司 2022-03-11 CN disclosed
EP-3700922-B1 VESICLE INCORPORATING TRANSMEMBRANE PROTEIN AQUAPORIN AS (DK) 2021-12-08 EP disclosed
US-11000809-B2 Diblock copolymer vesicles and separation membranes comprising aquaporin water channels and methods of making and using them AQUAPORIN A/S (DK) 2021-05-11 US disclosed
US-5106943-A Molding materials; blend of trimer of polyisocyanate, epoxy compounds, and aromatic polyamine TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-04-21 US disclosed
EP-0477440-A1 Self-locking agent THREE BOND CO., LTD. (JP) 1992-04-01 EP disclosed
EP-0450926-A2 Fluorine-containing polyimides and precursors thereof Hitachi Chemical Co., Ltd. (JP) 1991-10-09 EP disclosed
EP-0421393-A2 Resin, compositions, shaped articles, and methods for manufacture Takeda Chemical Industries, Ltd. (JP) 1991-04-10 EP disclosed
JP-H01149835-A PRODUCTION OF PREPREG FOR HEAT-RESISTANT LAMINATED BOARD TOSHIBA CHEM CORP 1989-06-12 JP disclosed
JP-S61264023-A ADHESIVE POLYIMIDE FILM UBE IND LTD 1986-11-21 JP disclosed
US-4144225-A Novel aromatic diamine compounds and flame-resistant polyamide compositions containing said compounds KANEBO, LTD. (JP) 1979-03-13 US disclosed
US-4002584-A LONG CHAIN POLYOL, HALOGENATED AROMATIC DIAMINE, ONE-SHOT REACTION IHARA CHEMICAL KOGYO KABUSHIKI KAISHA (JA) 1977-01-11 US disclosed
US-3975345-A ELECTROCOATING GENERAL ELECTRIC COMPANY (US) 1976-08-17 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 (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-20230111073-A1 METHOD OF PREPARING A THIN FILM COMPOSITE LAYER CHMP4B, VMA21, VAMP8 ALDH1A1 4599/4885CYP3A4 4570/4885CA1 3132/4885
US-20230087170-A1 METHOD OF PREPARING A THIN FILM COMPOSITE LAYER CHMP4B, VMA21, VAMP8 ALDH1A1 4599/4885CYP3A4 4570/4885CA1 3132/4885

“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.