SCHEMBL486301

SCHEMBL486301

NNc1ccc(Cc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.59
CYP3A4 P08684 3/20 0.59
LMNA P02545 3/20 0.59
CYP2C9 P11712 3/20 0.59
CYP1A2 P05177 2/20 0.59
CYP2D6 P10635 2/20 0.59
CYP2C19 P33261 2/20 0.59
PTGS2 P35354 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
CALM1 P0DP23 1/20 0.57
PLA2G10 O15496 1/20 0.47
PLA2G2A P14555 1/20 0.47
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
SLC22A2 O15244 1/20 0.45

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
Hydrochloric Acid SCHEMBL4381619 0.98 CYP3A4 (0.56) IDO1CYP3A4LMNACYP2C9CYP1A2
SCHEMBL4264696 0.90 LMNA (0.48) IDO1CYP3A4LMNACYP2C9CYP1A2
Hydrochloric Acid SCHEMBL7597445 0.85 LMNA (0.43) IDO1CYP3A4LMNACYP2C9CYP1A2
SCHEMBL17705699 0.81 CYP3A4 (0.67) IDO1CYP3A4LMNACYP2C9CYP1A2
SCHEMBL17705702 0.81 ALDH1A1 (0.43) IDO1CYP3A4LMNACYP2C9CYP1A2
SCHEMBL284700 0.80 CALM1 (0.63) CYP3A4LMNACYP2C9CYP1A2CYP2C19
SCHEMBL8094422 0.79 CALM1 (0.92) IDO1CYP3A4LMNACYP2C9TDP1
SCHEMBL972712 0.79 CALM1 (0.92) IDO1CYP3A4LMNACYP2C9TDP1
SCHEMBL1108578 0.78 TSHR (0.62) CYP3A4LMNACYP2C9CALM1PLA2G10
SCHEMBL19187359 0.78 ALDH1A1 (0.65) CYP3A4LMNACYP2C9CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119194469-B Method for electrochemically synthesizing amine compound 山东金科力电源科技有限公司 2025-02-25 CN disclosed
CN-119194469-A Method for electrochemically synthesizing amine compound 山东金科力电源科技有限公司 2024-12-27 CN disclosed
EP-2145884-B1 INDOLEDIONE DERIVATIVE MSD KK (JP) 2014-08-06 EP disclosed
US-8106086-B2 Indoledione derivative MSD K.K. (JP) 2012-01-31 US disclosed
US-20100056597-A1 INDOLEDIONE DERIVATIVE MSD K.K. (JP) 2010-03-04 US disclosed
EP-2145884-A1 INDOLEDIONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-01-20 EP disclosed
US-4257952-A PSYCHOTROPIC DRUGS, ANALGESICS, ANTIHISTAMINES STERLING DRUG INC. (US) 1981-03-24 US disclosed
US-4229463-A ANTICHOLESTEROL AGENTS FOR REDUCING CHOLESTEROL ESTER CONTENT OF ARTERIAL WALLS SANDOZ, INC. (US) 1980-10-21 US disclosed
US-4172834-A ANALGESICS, ANTIHISTAMINES AND PSYCHOTROPIC AGENTS STERLING DRUG INC. (US) 1979-10-30 US disclosed
US-4062864-A ANALGESIC, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1977-12-13 US disclosed
US-3959309-A ANALGESICS, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1976-05-25 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-20100056597-A1 INDOLEDIONE DERIVATIVE LIPE, IDO1, ADRA1A IDO1 2/4885CYP3A4 1059/4885LMNA 1165/4885

“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.