Sugi Predict

Sugi Predict / Compounds / SCHEMBL2187283

SCHEMBL2187283

SCHEMBL2187283

O=[N+]([O-])CCc1c[nH]c2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.62
▸ PKLR P30613 1/20 0.62
▸ CYP3A4 P08684 3/20 0.57
▸ HTR2A P28223 3/20 0.57
▸ HTR2C P28335 2/20 0.57
▸ CYP2D6 P10635 2/20 0.57
▸ MPO P05164 1/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ CYP2A6 P11509 1/20 0.57
▸ NFKB1 P19838 1/20 0.57
▸ HTR1D P28221 1/20 0.57
▸ HTR1B P28222 1/20 0.57
▸ HTR7 P34969 1/20 0.57
▸ CTSK P43235 1/20 0.57
▸ HTR6 P50406 1/20 0.57
▸ CYP2A13 Q16696 1/20 0.57
▸ TAAR1 Q96RJ0 1/20 0.57
▸ PMP22 Q01453 1/20 0.56
▸ MEN1 O00255 4/20 0.55
▸ KMT2A Q03164 4/20 0.55

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
SCHEMBL30995725 1.00 PKM (0.62) PKMPKLRCYP3A4HTR2AHTR2C
SCHEMBL1852250 0.83 MEN1 (0.58) PKMPKLRCYP3A4HTR2AHTR2C
SCHEMBL4985934 0.80 HTR2A (0.77) CYP3A4HTR2AHTR2CCYP2D6MPO
SCHEMBL10578832 0.80 HTR2A (0.60) PKMPKLRHTR2ACYP1A2MEN1
SCHEMBL16806647 0.79 DAO (0.43) PKMPKLRCYP3A4CYP1A2MEN1
SCHEMBL2539769 0.78 CHRNB2 (0.57) PKMPKLRHTR2AHTR2CCYP2A6
SCHEMBL763949 0.78 HTR2A (0.61) PKMPKLRHTR2AHTR2CHTR1D
SCHEMBL14500078 0.78 HTR2A (0.61) PKMPKLRHTR2AMPOHTR6
SCHEMBL28370930 0.78 HTR2A (0.61) HTR2AHTR2CHTR1DHTR1BHTR7
SCHEMBL8404321 0.78 HTR2A (0.61) HTR2AHTR2CHTR1DHTR1BHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0923581-B1 4-SUBSTITUTED BETA-CARBOLINES AS IMMUNOMODULATORS BOEHRINGER INGELHEIM PHARMA (US) 2003-05-21 — — EP claimed
US-6093723-A AN IMMUNOMODULATOR FOR TREATING AND PREVENTING IMMUNE DISORDERS, INCLUDING AUTOIMMUNE DISEASE, INFLAMMATORY DISEASE, ORGAN TRANSPLANT REJECTION AND OTHER DISORDERS ASSOCIATED WITH IL-2 MEDIATED IMMUNE RESPONSE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-07-25 — — US claimed
EP-0923581-A1 4-SUBSTITUTED BETA-CARBOLINES AS IMMUNOMODULATORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1999-06-23 — — EP claimed
WO-1998006719-A1 4-SUBSTITUTED BETA-CARBOLINES AS IMMUNOMODULATORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1998-02-19 — — WO claimed
CN-118359528-A Method for preparing 3- (2-nitroethyl) indole compound 郑州大学 2024-07-19 — — CN disclosed
CN-118359528-A Method for preparing 3- (2-nitroethyl) indole compound 郑州大学 2024-07-19 — — CN disclosed
CN-112961093-A Method for reducing C = C double bond of nitroolefin with high selectivity 北京化工大学 2021-06-15 — — CN disclosed
CN-106986859-B Indole derivatives and uses thereof 广东东阳光药业有限公司 2020-02-11 — — CN disclosed
CN-106986859-A Indole derivatives and application thereof 广东东阳光药业有限公司 2017-07-28 — — CN disclosed
US-20170210743-A1 NOVEL HDAC6 INHIBITORS AND THEIR USES Universitätsklinikum Jena (DE) 2017-07-27 — — US disclosed
US-20130184313-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2013-07-18 — — US disclosed
US-8445684-B2 Nicotinic acetylcholine receptor ligands and the uses thereof PsycoGenics Inc. (US) 2013-05-21 — — US disclosed
US-6093723-A AN IMMUNOMODULATOR FOR TREATING AND PREVENTING IMMUNE DISORDERS, INCLUDING AUTOIMMUNE DISEASE, INFLAMMATORY DISEASE, ORGAN TRANSPLANT REJECTION AND OTHER DISORDERS ASSOCIATED WITH IL-2 MEDIATED IMMUNE RESPONSE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-07-25 — — US disclosed
EP-0923581-A1 4-SUBSTITUTED BETA-CARBOLINES AS IMMUNOMODULATORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1999-06-23 — — EP disclosed
WO-1998006719-A1 4-SUBSTITUTED BETA-CARBOLINES AS IMMUNOMODULATORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1998-02-19 — — WO disclosed
US-5556874-A ENZYME INHIBITORS AS ANTICARCINOGENIC AGENTS WARNER LAMBERT COMPANY (US) 1996-09-17 — — US disclosed
US-5464861-A Anticarcinogenic agents WARNER-LAMBERT (US) 1995-11-07 — — US disclosed
US-5436264-A Adrenergic blocking agents for vasoconstriction and hypotensive agents SYNTEX (U.S.A.) INC. (US) 1995-07-25 — — US disclosed
EP-0654024-A1 2-THIOINDOLES (SELENOINDOLES) AND RELATED DISULFIDES (SELENIDES) WHICH INHIBIT PROTEIN TYROSINE KINASES AND WHICH HAVE ANTITUMOR PROPERTIES WARNER-LAMBERT COMPANY (US) 1995-05-24 — — EP disclosed
WO-1994003427-A1 2-THIOINDOLES (SELENOINDOLES) AND RELATED DISULFIDES (SELENIDES) WHICH INHIBIT PROTEIN TYROSINE KINASES AND WHICH HAVE ANTITUMOR PROPERTIES WARNER-LAMBERT COMPANY (US) 1994-02-17 — — 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-20170210743-A1 NOVEL HDAC6 INHIBITORS AND THEIR USES HDAC6, HDAC5, HDAC4 PKM 2847/4885PKLR 2873/4885CYP3A4 4529/4885
US-20130184313-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF CHRNG, CHRNA5, CHRNA2 PKM 3482/4885PKLR 1994/4885CYP3A4 1942/4885

“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.