SCHEMBL3973439

SCHEMBL3973439

O=C=NC1CCc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.42
PDPK1 O15530 1/20 0.42
MAOA P21397 3/20 0.41
MAOB P27338 3/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CYP11B2 P19099 1/20 0.40
HTR6 P50406 2/20 0.39
BCHE P06276 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
ACHE P22303 1/20 0.39
ADRA1A P35348 1/20 0.39
PIN1 Q13526 1/20 0.38

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
SCHEMBL30523117 1.00 IDO1 (0.42) IDO1PDPK1MAOAMAOBCA1
SCHEMBL8445624 1.00 IDO1 (0.42) IDO1PDPK1MAOAMAOBCA1
SCHEMBL1148693 1.00 IDO1 (0.42) IDO1PDPK1MAOAMAOBCA1
SCHEMBL1148775 1.00 IDO1 (0.42) IDO1PDPK1MAOAMAOBCA1
Water SCHEMBL27660893 0.98 IDO1 (0.41) IDO1PDPK1MAOAMAOBCA1
SCHEMBL29795931 0.89 IDO1 (0.45) IDO1
SCHEMBL1148722 0.89 IDO1 (0.45) IDO1
SCHEMBL3318970 0.89 IDO1 (0.45) IDO1
SCHEMBL28568250 0.82 ALDH1A1 (0.34)
SCHEMBL2541173 0.81 IDO1 (0.42) IDO1PDPK1MAOAMAOBCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116396189-A Preparation method of (S) - (+) -1-indanyl isocyanate 无锡科华生物科技有限公司 2023-07-07 CN claimed
CN-116396189-A Preparation method of (S) - (+) -1-indanyl isocyanate 无锡科华生物科技有限公司 2023-07-07 CN disclosed
CN-116396189-A Preparation method of (S) - (+) -1-indanyl isocyanate 无锡科华生物科技有限公司 2023-07-07 CN disclosed
CN-116396189-A Preparation method of (S) - (+) -1-indanyl isocyanate 无锡科华生物科技有限公司 2023-07-07 CN disclosed
CN-106232667-B Polyiso-ureas 巴斯夫欧洲公司 2020-01-07 CN disclosed
US-20180298557-A1 METHODS FOR TREATING PAPERBOARDS AND PAPER MEDIA, AND ASSOCIATED TREATED PAPERBOARDS AND PAPER MEDIA BASF CORPORATION 2018-10-18 US disclosed
EP-3107946-B1 A POLYISO-UREA BASF SE (DE) 2018-08-08 EP disclosed
US-9982083-B2 Polyiso-urea BASF SE (DE) 2018-05-29 US disclosed
EP-2655323-B1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LTD (IE) 2017-12-20 EP disclosed
US-20170217910-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2017-08-03 US disclosed
US-20040171680-A1 Treating Syndrome X with substituted tetralins and indanes JANSSEN PHARMACEUTICA N.V. (BE) 2004-09-02 US disclosed
US-20040167211-A1 Methods of using substituted tetralins and indanes JANSSEN PHARMACEUTICA N.V. (BE) 2004-08-26 US disclosed
US-20040162352-A1 Treating syndrome X with substituted tetralins and indanes JANSSEN PHARMACEUTICA N.V. (BE) 2004-08-19 US disclosed
EP-1425284-A2 FURO- AND THIENOPYRIMIDINE DERIVATIVES AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-06-09 EP disclosed
WO-2004037779-A1 SUBSTITUTED TETRALINS AND INDANES AND THEIR USE JANSSEN PHARMACEUTICA, N.V. (BE) 2004-05-06 WO disclosed
WO-2004037777-A1 TREATING SYNDROME X WITH SUBSTITUTED TETRALINS AND INDANES JANSSEN PHARMACEUTICA, N.V. (BE) 2004-05-06 WO disclosed
WO-2004037778-A1 SUBSTITUTED TETRALINS AND INDANES JANSSEN PHARMACEUTICA, N.V. (BE) 2004-05-06 WO disclosed
WO-2003022852-A2 FURO-AND THIENOPYRIMIDINE DERIVATIVES AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-03-20 WO disclosed
EP-0711272-A1 INDANE AND TETRAHYDRONAPHTHALENE DERIVATIVES AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-05-15 EP disclosed
WO-1995004028-A1 INDANE AND TETRAHYDRONAPHTHALENE DERIVATIVES AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-02-09 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 (4 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-20040171680-A1 Treating Syndrome X with substituted tetralins and indanes PPARG, PPARA, PPARD IDO1 396/4885PDPK1 425/4885MAOA 4106/4885
US-20170217910-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG IDO1 3119/4885PDPK1 3494/4885MAOA 4852/4885
US-20040162352-A1 Treating syndrome X with substituted tetralins and indanes PPARG, PPARA, PPARD IDO1 396/4885PDPK1 425/4885MAOA 4106/4885
US-20040167211-A1 Methods of using substituted tetralins and indanes PPARA, PPARG, PPARD IDO1 158/4885PDPK1 312/4885MAOA 4124/4885

“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.